NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
625064 |
6bg9   |
27289 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: noe-hb.RST
#
# 1 G H8 1 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 13, 29, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
/
#
# 1 G H8 1 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 13, 27, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 1 G H8 2 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 13, 47, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 1 G H2' 2 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 29, 47, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 1 G H3' 2 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 27, 47, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 2 G H8 2 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 47, 63, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 2 G H8 2 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 47, 61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 2 G H8 3 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 47, 81, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 2 G H8 3 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 47, 83, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 2 G H1' 3 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 44, 81, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 2 G H2' 3 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 63, 81, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 2 G H3' 3 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 61, 81, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 3 C H6 3 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 81, 94, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 3 C H6 3 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 81, 92, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 3 C H6 4 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 81, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 3 C H1' 4 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 78, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 3 C H2' 4 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 94, 112, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 3 C H3' 4 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 92, 112, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 4 A H8 4 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, 127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 4 A H8 4 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 112, 125, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 4 A H8 5 G H2' 5.00 (# # VERY UNUSUAL -- confirmed )
&rst
ixpk= 0, nxpk= 0, iat= 112, 161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 4 A H8 5 G H3' 5.00 (# # VERY UNUSUAL -- confirmed )
&rst
ixpk= 0, nxpk= 0, iat= 112, 159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 4 A H2 92 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 121,2981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 4 A H2 92 G H8 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 121,2984, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 4 A H2 91 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 121,2950, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 5 G H8 5 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 145, 161, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 5 G H8 5 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 145, 159, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 5 G H8 7 A H8 6.00 (# # VERY UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat= 145, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 5 G H8 7 A H1' 5.00 (# # VERY UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat= 145, 210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 5 G H1' 7 A H1' 5.00 (# # VERY UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat= 142, 210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 6 G H8 6 G H1' 2.70 (# # Strong -- UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat= 179, 176, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 6 G H8 6 G H2' 3.30 (# # Equally Strong as H8 to H1' (SD via H1'?) )
&rst
ixpk= 0, nxpk= 0, iat= 179, 195, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 7 A H8 7 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, 228, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 7 A H8 7 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, 226, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 7 A H8 8 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 7 A H8 8 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 213, 248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 7 A H1' 8 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, 246, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 7 A H2' 8 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 228, 246, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 7 A H3' 8 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 226, 246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 7 A H1' 8 C H1' 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 210, 243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 7 A H2 8 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 222, 243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 C H6 8 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 246, 259, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 8 C H6 8 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 246, 257, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 8 C H6 9 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 246, 279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 C H6 9 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 246, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 C H1' 9 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 243, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 8 C H2' 9 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 259, 277, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 8 C H3' 9 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 257, 277, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 9 U H6 9 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 9 U H6 9 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, 287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 9 U H6 10 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 9 U H6 10 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 277, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 9 U H5 10 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 279, 309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 9 U H1' 10 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 274, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 9 U H2' 10 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 289, 307, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 9 U H3' 10 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 287, 307, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 10 C H6 10 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 307, 320, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 10 C H6 10 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 307, 318, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 10 C H6 11 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 307, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 10 C H1' 11 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304, 338, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 10 C H2' 11 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 320, 338, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 10 C H3' 11 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 318, 338, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 10 C H1' 88 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 304,2858, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 11 G H8 11 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 338, 354, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 11 G H8 12 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 338, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 11 G H1' 12 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 335, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 11 G H2' 12 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 354, 372, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 12 G H8 13 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 372, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 G H8 13 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 372, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 12 G H1' 13 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 369, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 13 C H6 13 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, 419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 13 C H6 13 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, 417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 13 C H6 14 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 13 C H6 14 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 13 C H1' 14 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 403, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 13 C H2' 14 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 419, 437, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 13 C H3' 14 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 417, 437, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 13 C H1' 83 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 403,2692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 U H6 14 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 437, 449, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 14 U H6 14 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 437, 447, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 14 U H6 15 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 437, 469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 U H6 15 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 437, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 U H5 15 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 439, 469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 U H1' 15 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 434, 467, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 14 U H2' 15 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 449, 467, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 14 U H3' 15 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 447, 467, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 14 U H1' 15 U H1' 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 434, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 15 U H6 15 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 467, 479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 15 U H6 15 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 467, 477, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 15 U H6 16 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 467, 497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 U H1' 16 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 464, 497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 15 U H2' 16 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 479, 497, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 15 U H3' 16 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 477, 497, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 15 U H1' 81 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 464,2625, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 16 G H8 16 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 497, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 16 G H8 16 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 497, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 16 G H8 17 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 497, 531, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 16 G H1' 17 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 494, 531, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 16 G H2' 17 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 513, 531, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 16 G H3' 17 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 511, 531, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 16 G H1' 80 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 494,2592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 C H6 17 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 531, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 17 C H6 17 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 531, 542, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 C H6 18 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 531, 564, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 C H6 18 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 531, 562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 C H1' 18 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 528, 562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 17 C H2' 18 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 544, 562, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 17 C H3' 18 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 542, 562, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 18 U H6 18 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 562, 574, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 18 U H6 18 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 18 U H6 19 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 562, 592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 18 U H1' 19 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 559, 592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 18 U H2' 19 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 574, 592, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 18 U H3' 19 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 572, 592, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 19 G H8 19 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 592, 608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 19 G H8 19 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 592, 606, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 19 G H8 20 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 592, 626, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 19 G H2' 20 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 608, 626, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 19 G H3' 20 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 606, 626, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 20 A H8 20 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 626, 641, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 20 A H8 20 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 626, 639, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 20 A H8 21 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 626, 659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 A H2' 21 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 641, 659, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 20 A H3' 21 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 639, 659, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 20 A H2 21 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 635, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 A H2 21 A H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 635, 656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 A H2 76 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 635,2450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 20 A H2 75 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 635,2429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 21 A H8 21 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 659, 674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 21 A H8 21 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 659, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 21 A H8 22 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 659, 692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 21 A H2' 22 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 674, 692, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 21 A H3' 22 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 672, 692, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 21 A H2 22 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 668, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 21 A H2 75 A H1' 6.00 (# # v weak )
&rst
ixpk= 0, nxpk= 0, iat= 668,2417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 21 A H2 75 A H2 5.00 (# # most itense of H2 NOEs )
&rst
ixpk= 0, nxpk= 0, iat= 668,2429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 G H8 22 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 692, 708, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 22 G H8 22 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 692, 706, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 22 G H8 23 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 692, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 G H8 23 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 692, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 22 G H2' 23 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 708, 726, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 22 G H3' 23 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 706, 726, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 23 C H6 23 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, 739, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 23 C H6 23 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, 737, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 23 C H6 24 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 726, 757, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 23 C H2' 24 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 739, 757, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 23 C H3' 24 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 737, 757, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 24 G H8 24 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 773, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 24 G H8 24 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 771, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G H8 25 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 24 G H8 25 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 24 G H2' 25 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 773, 791, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 24 G H3' 25 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 771, 791, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 25 C H6 25 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 791, 804, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 25 C H6 25 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 791, 802, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 G H8 71 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2306, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 71 G H8 71 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 G H8 72 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 71 G H8 72 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 71 G H2' 72 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2306,2324, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 71 G H3' 72 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2304,2324, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 72 C H6 72 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2324,2337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 72 C H6 72 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2324,2335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 72 C H6 73 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2324,2355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 72 C H2' 73 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2337,2355, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 72 C H3' 73 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2335,2355, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 73 G H8 73 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2355,2371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 73 G H8 73 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2355,2369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 73 G H8 74 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2355,2389, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 73 G H8 74 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2355,2391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 73 G H2' 74 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2371,2389, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 73 G H3' 74 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2369,2389, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 74 C H6 74 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2389,2402, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 74 C H6 74 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2389,2400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 74 C H6 75 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2389,2420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 74 C H2' 75 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2402,2420, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 74 C H3' 75 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2400,2420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 75 A H8 75 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2420,2435, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 75 A H8 75 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2420,2433, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 75 A H2 76 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2429,2450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 75 A H8 76 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2420,2453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 75 A H8 76 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2420,2455, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 75 A H2' 76 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2435,2453, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 75 A H3' 76 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2433,2453, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 75 A H2 22 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2429, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 76 C H6 76 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2453,2466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 76 C H6 76 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2453,2464, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 76 C H6 77 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2453,2484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 76 C H2' 77 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2466,2484, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 76 C H3' 77 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2464,2484, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 77 G H8 77 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2484,2500, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 77 G H8 77 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2484,2498, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 77 G H8 78 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2484,2518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 77 G H2' 78 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2500,2518, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 77 G H3' 78 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2498,2518, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 78 G H8 78 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2518,2534, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 78 G H8 78 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2518,2532, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 78 G H8 79 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2518,2552, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 78 G H8 79 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2518,2554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 78 G H2' 79 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2534,2552, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 78 G H3' 79 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2532,2552, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 79 C H6 79 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2552,2565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 79 C H6 79 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2552,2563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 79 C H6 80 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2552,2583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 79 C H2' 80 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2565,2583, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 79 C H3' 80 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2563,2583, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 80 A H8 80 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2583,2598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 80 A H8 80 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2583,2596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 80 A H8 81 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2583,2616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 80 A H2 81 A H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2592,2613, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 80 A H2' 81 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2598,2616, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 80 A H3' 81 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2596,2616, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 80 A H2 16 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2592, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 81 A H8 81 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2616,2631, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 81 A H8 81 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2616,2629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 81 A H8 82 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2616,2649, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 81 A H2 82 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2625,2646, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 81 A H2' 82 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2631,2649, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 81 A H3' 82 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2629,2649, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 81 A H2 15 U H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2625, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 82 G H8 82 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2649,2665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 82 G H8 82 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2649,2663, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 82 G H8 83 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2649,2683, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 82 G H2' 83 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2665,2683, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 82 G H3' 83 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2663,2683, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 83 A H8 83 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2683,2698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 83 A H8 83 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2683,2696, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 83 A H8 84 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2683,2716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 83 A H2 84 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2692,2713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 83 A H2' 84 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2698,2716, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 83 A H3' 84 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2696,2716, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 83 A H2 13 C H1' 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=2692, 403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 84 G H8 84 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2716,2732, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 84 G H8 84 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2716,2730, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 84 G H8 85 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2716,2750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 84 G H2' 85 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2732,2750, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 84 G H3' 85 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2730,2750, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 85 G H8 85 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2750,2766, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 85 G H8 85 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2750,2764, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 85 G H8 86 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2750,2784, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 85 G H8 86 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2750,2786, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 85 G H2' 86 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2766,2784, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 85 G H3' 86 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2764,2784, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 86 C H6 86 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2784,2797, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 86 C H6 86 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2784,2795, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 86 C H6 87 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2784,2815, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 86 C H2' 87 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2797,2815, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 86 C H3' 87 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2795,2815, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 87 G H8 87 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2815,2831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 87 G H8 87 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2815,2829, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 87 G H8 88 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2815,2849, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 87 G H2' 88 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2831,2849, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 87 G H3' 88 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2829,2849, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 88 A H8 88 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2849,2864, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 88 A H8 88 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2849,2862, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 88 A H8 89 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2849,2882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 88 A H2 89 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2858,2879, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 88 A H2' 89 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2864,2882, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 88 A H3' 89 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2862,2882, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 88 A H2 10 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2858, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 89 G H8 89 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2882,2898, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 89 G H8 89 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2882,2896, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 89 G H8 90 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2882,2916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 89 G H2' 90 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2898,2916, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 89 G H3' 90 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2896,2916, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 90 G H8 90 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2916,2932, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 90 G H8 90 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2916,2930, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 90 G H1' 91 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2913,2947, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 90 G H1' 91 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2913,2950, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 91 G H8 91 G H1' 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2950,2947, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 91 G H2' 92 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2966,2984, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 91 G H3' 92 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2964,2984, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 92 G H8 92 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2984,3000, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 92 G H8 92 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2984,2998, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 92 G H8 93 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2984,3018, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 92 G H8 93 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2984,3020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 92 G H2' 93 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=3000,3018, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 92 G H3' 93 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2998,3018, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 93 C H6 93 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3018,3031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 93 C H6 93 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3018,3029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 93 C H6 94 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3018,3049, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 93 C H6 94 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3018,3051, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 93 C H2' 94 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=3031,3049, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 93 C H3' 94 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=3029,3049, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 94 C H6 94 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3049,3062, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 94 C H6 94 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3049,3060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 48 G H8 48 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1546,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 48 G H8 48 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1546,1560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 48 G H8 49 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1546,1580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 48 G H2' 49 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1562,1580, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 48 G H3' 49 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1560,1580, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 49 G H8 49 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1580,1596, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 49 G H8 49 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1580,1594, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 49 G H8 50 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1580,1614, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 49 G H8 50 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1580,1616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 49 G H1' 50 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1577,1614, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 49 G H2' 50 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1596,1614, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 49 G H3' 50 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1594,1614, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 50 C H6 50 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1614,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 50 C H6 50 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1614,1625, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 50 C H6 51 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1614,1645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 50 C H1' 51 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1611,1645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 50 C H2' 51 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1627,1645, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 50 C H3' 51 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1625,1645, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 51 A H8 51 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1645,1660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 51 A H8 51 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1645,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 51 A H8 52 G H2' 5.00 (# # VERY UNUSUAL -- confirmed )
&rst
ixpk= 0, nxpk= 0, iat=1645,1694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 51 A H8 52 G H3' 5.00 (# # VERY UNUSUAL -- confirmed )
&rst
ixpk= 0, nxpk= 0, iat=1645,1692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 51 A H2 45 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1654,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 51 A H2 45 G H8 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1654,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 51 A H2 44 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1654,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 52 G H8 52 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1678,1694, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 52 G H8 52 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1678,1692, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 52 G H8 54 A H8 6.00 (# # VERY UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat=1678,1746, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 52 G H8 54 A H1' 5.00 (# # VERY UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat=1678,1743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 52 G H1' 54 A H1' 5.00 (# # VERY UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat=1675,1743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 53 G H8 53 G H1' 2.70 (# # Strong -- UNUSUAL )
&rst
ixpk= 0, nxpk= 0, iat=1712,1709, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 53 G H8 53 G H2' 3.30 (# # Equally Strong as H8 to H1' (SD via H1'?) )
&rst
ixpk= 0, nxpk= 0, iat=1712,1728, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 54 A H8 54 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1746,1761, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 54 A H8 54 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1746,1759, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 54 A H8 55 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1746,1779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 A H8 55 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1746,1781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 A H1' 55 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1743,1779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 54 A H2' 55 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1761,1779, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 54 A H3' 55 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1759,1779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 54 A H1' 55 C H1' 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1743,1776, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 54 A H2 55 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1755,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 C H6 55 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1779,1792, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 55 C H6 55 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1779,1790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 55 C H6 56 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1779,1812, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 C H6 56 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1779,1810, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 C H1' 56 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1776,1810, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 55 C H2' 56 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1792,1810, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 55 C H3' 56 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1790,1810, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 56 U H6 56 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1810,1822, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 56 U H6 56 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1810,1820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 56 U H6 57 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1810,1842, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 U H6 57 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1810,1840, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 U H5 57 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1812,1842, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 U H1' 57 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1807,1840, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 56 U H2' 57 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1822,1840, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 56 U H3' 57 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1820,1840, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 57 C H6 57 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1840,1853, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 57 C H6 57 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1840,1851, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 57 C H6 58 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1840,1871, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 C H1' 58 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1837,1871, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 57 C H2' 58 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1853,1871, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 57 C H3' 58 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1851,1871, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 57 C H1' 41 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1837,1325, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 58 G H8 58 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1871,1887, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 58 G H8 59 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1871,1905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 58 G H1' 59 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1868,1905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 58 G H2' 59 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1887,1905, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 59 G H8 60 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1905,1939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 59 G H8 60 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1905,1941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 59 G H1' 60 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1902,1939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 C H6 60 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1939,1952, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 60 C H6 60 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1939,1950, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 60 C H6 61 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1939,1972, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 C H6 61 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1939,1970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 C H1' 61 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1936,1970, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 60 C H2' 61 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1952,1970, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 60 C H3' 61 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1950,1970, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 60 C H1' 36 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1936,1159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 U H6 61 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1970,1982, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 61 U H6 61 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1970,1980, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 61 U H6 62 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1970,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 U H6 62 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1970,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 U H5 62 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1972,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 U H1' 62 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1967,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 61 U H2' 62 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1982,2000, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 61 U H3' 62 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1980,2000, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 61 U H1' 62 U H1' 6.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1967,1997, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 62 U H6 62 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2000,2012, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 62 U H6 62 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2000,2010, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 62 U H6 63 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2000,2030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 62 U H1' 63 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1997,2030, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 62 U H2' 63 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2012,2030, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 62 U H3' 63 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2010,2030, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 62 U H1' 34 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1997,1092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 63 G H8 63 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2030,2046, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 63 G H8 63 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2030,2044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 63 G H8 64 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2030,2064, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 63 G H1' 64 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2027,2064, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 63 G H2' 64 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2046,2064, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 63 G H3' 64 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2044,2064, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 63 G H1' 33 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2027,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 C H6 64 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2064,2077, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 64 C H6 64 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2064,2075, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 64 C H6 65 U H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2064,2097, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 C H6 65 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2064,2095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 C H1' 65 U H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2061,2095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 64 C H2' 65 U H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2077,2095, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 64 C H3' 65 U H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2075,2095, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 65 U H6 65 U H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2095,2107, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 65 U H6 65 U H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2095,2105, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 65 U H6 66 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2095,2125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 65 U H1' 66 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2092,2125, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 65 U H2' 66 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2107,2125, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 65 U H3' 66 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2105,2125, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 66 G H8 66 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2125,2141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 66 G H8 66 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2125,2139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 66 G H8 67 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2125,2159, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 66 G H2' 67 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2141,2159, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 66 G H3' 67 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2139,2159, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 67 A H8 67 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2159,2174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 67 A H8 67 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2159,2172, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 67 A H8 68 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2159,2192, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 67 A H2' 68 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2174,2192, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 67 A H3' 68 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2172,2192, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 67 A H2 68 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2168,2201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 67 A H2 68 A H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2168,2189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 67 A H2 29 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2168, 917, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 67 A H2 28 A H2 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2168, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 68 A H8 68 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2192,2207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 68 A H8 68 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2192,2205, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 68 A H8 69 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2192,2225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 68 A H2' 69 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2207,2225, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 68 A H3' 69 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2205,2225, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 68 A H2 69 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2201,2222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 68 A H2 28 A H1' 6.00 (# # v weak )
&rst
ixpk= 0, nxpk= 0, iat=2201, 884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 68 A H2 28 A H2 5.00 (# # most itense of H2 NOEs )
&rst
ixpk= 0, nxpk= 0, iat=2201, 896, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 69 G H8 69 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2225,2241, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 69 G H8 69 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2225,2239, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 69 G H8 70 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2225,2259, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 69 G H8 70 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2225,2261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 69 G H2' 70 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2241,2259, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 69 G H3' 70 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2239,2259, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 70 C H6 70 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2259,2272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 70 C H6 70 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2259,2270, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 70 C H6 71 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2259,2290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 70 C H2' 71 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2272,2290, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 70 C H3' 71 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2270,2290, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 71 G H8 71 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2306, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 71 G H8 71 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 G H8 72 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2324, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 71 G H8 72 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2290,2326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 71 G H2' 72 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=2306,2324, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 71 G H3' 72 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=2304,2324, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 72 C H6 72 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2324,2337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 72 C H6 72 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2324,2335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G H8 24 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 773, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 24 G H8 24 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 771, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G H8 25 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 791, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 24 G H8 25 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 757, 793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 24 G H2' 25 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 773, 791, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 24 G H3' 25 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 771, 791, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 25 C H6 25 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 791, 804, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 25 C H6 25 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 791, 802, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 25 C H6 26 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 791, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 25 C H2' 26 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 804, 822, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 25 C H3' 26 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 802, 822, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 26 G H8 26 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, 838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 26 G H8 26 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, 836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 26 G H8 27 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, 856, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 G H8 27 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 822, 858, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 26 G H2' 27 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 838, 856, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 26 G H3' 27 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 836, 856, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 27 C H6 27 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 856, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 27 C H6 27 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 856, 867, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 27 C H6 28 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 856, 887, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 27 C H2' 28 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 869, 887, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 27 C H3' 28 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 867, 887, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 28 A H8 28 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, 902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 28 A H8 28 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, 900, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 28 A H2 29 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 896, 917, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 A H8 29 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, 920, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 A H8 29 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 887, 922, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 28 A H2' 29 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 902, 920, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 28 A H3' 29 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 900, 920, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 28 A H2 69 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 896,2222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 C H6 29 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 920, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 29 C H6 29 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 920, 931, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 29 C H6 30 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 920, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 29 C H2' 30 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 933, 951, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 29 C H3' 30 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 931, 951, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 30 G H8 30 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 951, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 30 G H8 30 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 30 G H8 31 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 951, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 30 G H2' 31 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat= 967, 985, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 30 G H3' 31 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 965, 985, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 31 G H8 31 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 985,1001, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 31 G H8 31 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 985, 999, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 31 G H8 32 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 985,1019, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 31 G H8 32 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 985,1021, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 31 G H2' 32 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1001,1019, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 31 G H3' 32 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat= 999,1019, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 32 C H6 32 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1019,1032, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 32 C H6 32 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1019,1030, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 32 C H6 33 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1019,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 32 C H2' 33 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1032,1050, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 32 C H3' 33 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1030,1050, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 33 A H8 33 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1050,1065, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 33 A H8 33 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1050,1063, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 33 A H8 34 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1050,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 33 A H2 34 A H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1059,1080, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 33 A H2' 34 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1065,1083, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 33 A H3' 34 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1063,1083, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 33 A H2 63 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1059,2027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 34 A H8 34 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1083,1098, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 34 A H8 34 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1083,1096, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 34 A H8 35 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1083,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 34 A H2 35 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1092,1113, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 34 A H2' 35 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1098,1116, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 34 A H3' 35 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1096,1116, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 34 A H2 62 U H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1092,1997, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 35 G H8 35 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1116,1132, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 35 G H8 35 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1116,1130, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 35 G H8 36 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1116,1150, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 35 G H2' 36 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1132,1150, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 35 G H3' 36 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1130,1150, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 36 A H8 36 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1150,1165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 36 A H8 36 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1150,1163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 36 A H8 37 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1150,1183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 36 A H2 37 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1159,1180, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 36 A H2' 37 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1165,1183, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 36 A H3' 37 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1163,1183, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 36 A H2 60 C H1' 5.50 (# )
&rst
ixpk= 0, nxpk= 0, iat=1159,1936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 37 G H8 37 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1183,1199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 37 G H8 37 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1183,1197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 37 G H8 38 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1183,1217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 37 G H2' 38 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1199,1217, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 37 G H3' 38 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1197,1217, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 38 G H8 38 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1217,1233, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 38 G H8 38 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1217,1231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 38 G H8 39 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1217,1251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 38 G H8 39 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1217,1253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 38 G H2' 39 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1233,1251, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 38 G H3' 39 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1231,1251, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 39 C H6 39 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1251,1264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 39 C H6 39 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1251,1262, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 39 C H6 40 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1251,1282, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 39 C H2' 40 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1264,1282, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 39 C H3' 40 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1262,1282, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 40 G H8 40 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1282,1298, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 40 G H8 40 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1282,1296, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 40 G H8 41 A H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1282,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 40 G H2' 41 A H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1298,1316, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 40 G H3' 41 A H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1296,1316, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 41 A H8 41 A H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1316,1331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 41 A H8 41 A H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1316,1329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 41 A H8 42 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1316,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 A H2 42 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1325,1346, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 A H2' 42 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1331,1349, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 41 A H3' 42 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1329,1349, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 41 A H2 57 C H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1325,1837, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 42 G H8 42 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1349,1365, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 42 G H8 42 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1349,1363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 42 G H8 43 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1349,1383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 42 G H2' 43 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1365,1383, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 42 G H3' 43 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1363,1383, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 43 G H8 43 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1383,1399, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 43 G H8 43 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1383,1397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 43 G H1' 44 G H1' 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1380,1414, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 43 G H1' 44 G H8 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1380,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 44 G H8 44 G H1' 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1417,1414, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 44 G H2' 45 G H8 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1433,1451, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 44 G H3' 45 G H8 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1431,1451, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 45 G H8 45 G H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1451,1467, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 45 G H8 45 G H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1451,1465, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 45 G H8 46 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1451,1485, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 45 G H8 46 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1451,1487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 45 G H2' 46 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1467,1485, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 45 G H3' 46 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1465,1485, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 46 C H6 46 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1485,1498, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 46 C H6 46 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1485,1496, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 46 C H6 47 C H6 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1485,1516, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 46 C H6 47 C H5 5.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1485,1518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 46 C H2' 47 C H6 2.70 (# )
&rst
ixpk= 0, nxpk= 0, iat=1498,1516, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, /
#
# 46 C H3' 47 C H6 3.30 (# )
&rst
ixpk= 0, nxpk= 0, iat=1496,1516, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 47 C H6 47 C H2' 4.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1516,1529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, /
#
# 47 C H6 47 C H3' 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1516,1527, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 1 G H1 94 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 19,3056, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
/
#
# 1 G N1 94 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 18,3056, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 1 G H21 94 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 22,3058, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 1 G N2 94 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 21,3058, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 1 G O6 94 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 17,3054, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 1 G O6 94 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 17,3053, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 2 G H1 93 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 53,3025, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 2 G N1 93 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 52,3025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 2 G H21 93 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 56,3027, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 2 G N2 93 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 55,3027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 2 G O6 93 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 51,3023, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 2 G O6 93 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 51,3022, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 3 C N3 92 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 88,2990, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 3 C N3 92 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 88,2989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 3 C O2 92 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 90,2993, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 3 C O2 92 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 90,2992, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 3 C H41 92 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 86,2988, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 3 C N4 92 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 85,2988, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 5 G H1 91 G N7 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 151,2951, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 5 G N1 91 G N7 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 150,2951, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 5 G H21 91 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 154,2954, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 5 G N2 91 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 153,2954, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 91 G H22 91 G OP2 2.2 (# )
&rst
ixpk= 0, nxpk= 0, iat=2960,2938, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, /
#
# 6 G H22 5 G OP2 2.2 (# # Matches EM structure )
&rst
ixpk= 0, nxpk= 0, iat= 189, 133, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, /
#
# 7 A N1 90 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220,2922, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 7 A N1 90 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 220,2921, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 7 A H61 90 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 218,2920, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 7 A N6 90 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 217,2920, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 8 C N3 89 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 253,2888, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 8 C N3 89 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 253,2887, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 8 C O2 89 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255,2891, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 8 C O2 89 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 255,2890, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 8 C H41 89 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 251,2886, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 8 C N4 89 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 250,2886, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 9 U H3 88 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 283,2856, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 9 U N3 88 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 282,2856, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 9 U O4 88 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 281,2854, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 9 U O4 88 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 281,2853, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 10 C N3 87 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314,2821, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 10 C N3 87 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 314,2820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 10 C O2 87 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 316,2824, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 10 C O2 87 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 316,2823, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 10 C H41 87 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 312,2819, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 10 C N4 87 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311,2819, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 11 G H1 86 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 344,2791, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 11 G N1 86 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 343,2791, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 11 G H21 86 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 347,2793, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 11 G N2 86 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 346,2793, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 11 G O6 86 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342,2789, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 11 G O6 86 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342,2788, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 12 G H1 83 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 378,2690, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 12 G N1 83 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 377,2690, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 12 G O6 83 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 376,2688, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 12 G O6 83 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 376,2687, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 13 C N3 82 G H1 2.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 413,2655, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, /
#
# 13 C N3 82 G N1 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 413,2654, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 13 C O2 82 G H21 2.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 415,2658, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, /
#
# 13 C O2 82 G N2 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 415,2657, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 13 C H41 82 G O6 2.29 (# )
&rst
ixpk= 0, nxpk= 0, iat= 411,2653, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, /
#
# 13 C N4 82 G O6 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat= 410,2653, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 14 U H3 81 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 443,2623, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 14 U N3 81 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 442,2623, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 14 U O4 81 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441,2621, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 14 U O4 81 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 441,2620, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 15 U H3 80 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 473,2590, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 15 U N3 80 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 472,2590, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 15 U O4 80 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 471,2588, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 15 U O4 80 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 471,2587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 16 G H1 79 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 503,2559, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 16 G N1 79 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 502,2559, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 16 G H21 79 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 506,2561, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 16 G N2 79 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 505,2561, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 16 G O6 79 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 501,2557, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 16 G O6 79 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 501,2556, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 C N3 78 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 538,2524, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 17 C N3 78 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 538,2523, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 C O2 78 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 540,2527, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 17 C O2 78 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 540,2526, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 C H41 78 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 536,2522, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 17 C N4 78 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 535,2522, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 18 U O2 77 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 570,2490, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 18 U O2 77 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 570,2489, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 18 U H3 77 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 568,2488, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 18 U N3 77 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 567,2488, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 19 G H1 76 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 598,2460, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 19 G N1 76 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 597,2460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 19 G H21 76 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 601,2462, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 19 G N2 76 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 600,2462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 19 G O6 76 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 596,2458, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 19 G O6 76 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 596,2457, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 20 A N1 75 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 633,2425, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 20 A N1 75 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 633,2424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 22 G H1 74 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 698,2396, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 22 G N1 74 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 697,2396, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 22 G H21 74 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 701,2398, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 22 G N2 74 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 700,2398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 22 G O6 74 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 696,2394, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 22 G O6 74 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 696,2393, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 23 C N3 73 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 733,2361, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 23 C N3 73 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 733,2360, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 23 C O2 73 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 735,2364, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 23 C O2 73 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 735,2363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 23 C H41 73 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 731,2359, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 23 C N4 73 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 730,2359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G H1 72 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 763,2331, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 24 G N1 72 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 762,2331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G H21 72 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 766,2333, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 24 G N2 72 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 765,2333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G O6 72 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 761,2329, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 24 G O6 72 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 761,2328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 25 C N3 71 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 798,2296, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 25 C N3 71 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 798,2295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 25 C O2 71 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 800,2299, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 25 C O2 71 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 800,2298, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 25 C H41 71 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 796,2294, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 25 C N4 71 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 795,2294, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 48 G H1 47 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1552,1523, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 48 G N1 47 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1551,1523, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 48 G H21 47 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1555,1525, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 48 G N2 47 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1554,1525, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 48 G O6 47 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1550,1521, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 48 G O6 47 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1550,1520, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 49 G H1 46 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1586,1492, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 49 G N1 46 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1585,1492, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 49 G H21 46 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1589,1494, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 49 G N2 46 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1588,1494, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 49 G O6 46 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1584,1490, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 49 G O6 46 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1584,1489, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 50 C N3 45 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1621,1457, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 50 C N3 45 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1621,1456, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 50 C O2 45 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1623,1460, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 50 C O2 45 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1623,1459, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 50 C H41 45 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1619,1455, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 50 C N4 45 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1618,1455, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 52 G H1 44 G N7 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1684,1418, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 52 G N1 44 G N7 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1683,1418, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 52 G H21 44 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1687,1421, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 52 G N2 44 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1686,1421, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 44 G H22 44 G OP2 2.2 (# )
&rst
ixpk= 0, nxpk= 0, iat=1427,1405, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, /
#
# 53 G H22 52 G OP2 2.2 (# # Matches EM structure )
&rst
ixpk= 0, nxpk= 0, iat=1722,1666, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, /
#
# 54 A N1 43 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1753,1389, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 54 A N1 43 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1753,1388, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 54 A H61 43 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1751,1387, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 54 A N6 43 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1750,1387, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 55 C N3 42 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1786,1355, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 55 C N3 42 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1786,1354, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 55 C O2 42 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1788,1358, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 55 C O2 42 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1788,1357, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 55 C H41 42 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1784,1353, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 55 C N4 42 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1783,1353, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 56 U H3 41 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1816,1323, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 56 U N3 41 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1815,1323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 56 U O4 41 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1814,1321, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 56 U O4 41 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1814,1320, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 57 C N3 40 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1847,1288, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 57 C N3 40 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1847,1287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 57 C O2 40 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1849,1291, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 57 C O2 40 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1849,1290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 57 C H41 40 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1845,1286, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 57 C N4 40 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1844,1286, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 58 G H1 39 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1877,1258, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 58 G N1 39 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1876,1258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 58 G H21 39 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1880,1260, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 58 G N2 39 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1879,1260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 58 G O6 39 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1875,1256, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 58 G O6 39 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1875,1255, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 59 G H1 36 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1911,1157, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 59 G N1 36 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1910,1157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 59 G O6 36 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1909,1155, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 59 G O6 36 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1909,1154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 60 C N3 35 G H1 2.29 (# )
&rst
ixpk= 0, nxpk= 0, iat=1946,1122, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, /
#
# 60 C N3 35 G N1 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat=1946,1121, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 60 C O2 35 G H21 2.29 (# )
&rst
ixpk= 0, nxpk= 0, iat=1948,1125, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, /
#
# 60 C O2 35 G N2 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat=1948,1124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 60 C H41 35 G O6 2.29 (# )
&rst
ixpk= 0, nxpk= 0, iat=1944,1120, r1= 1.30, r2= 1.80, r3= 2.29, r4= 2.79, /
#
# 60 C N4 35 G O6 3.40 (# )
&rst
ixpk= 0, nxpk= 0, iat=1943,1120, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 61 U H3 34 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1976,1090, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 61 U N3 34 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1975,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 61 U O4 34 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1974,1088, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 61 U O4 34 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1974,1087, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 62 U H3 33 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2006,1057, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 62 U N3 33 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2005,1057, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 62 U O4 33 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2004,1055, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 62 U O4 33 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2004,1054, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 63 G H1 32 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2036,1026, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 63 G N1 32 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2035,1026, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 63 G H21 32 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2039,1028, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 63 G N2 32 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2038,1028, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 63 G O6 32 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2034,1024, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 63 G O6 32 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2034,1023, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 64 C N3 31 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2071, 991, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 64 C N3 31 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2071, 990, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 64 C O2 31 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2073, 994, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 64 C O2 31 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2073, 993, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 64 C H41 31 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2069, 989, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 64 C N4 31 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2068, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 65 U O2 30 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2103, 957, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 65 U O2 30 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2103, 956, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 65 U H3 30 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2101, 955, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 65 U N3 30 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2100, 955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 66 G H1 29 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2131, 927, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 66 G N1 29 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2130, 927, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 66 G H21 29 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2134, 929, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 66 G N2 29 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2133, 929, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 66 G O6 29 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2129, 925, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 66 G O6 29 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2129, 924, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 67 A N1 28 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2166, 892, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 67 A N1 28 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2166, 891, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 69 G H1 27 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2231, 863, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 69 G N1 27 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2230, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 69 G H21 27 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2234, 865, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 69 G N2 27 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2233, 865, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 69 G O6 27 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2229, 861, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 69 G O6 27 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2229, 860, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 70 C N3 26 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2266, 828, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 70 C N3 26 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2266, 827, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 70 C O2 26 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2268, 831, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 70 C O2 26 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2268, 830, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 70 C H41 26 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2264, 826, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 70 C N4 26 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2263, 826, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 G H1 25 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2296, 798, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 71 G N1 25 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2295, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 G H21 25 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2299, 800, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 71 G N2 25 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2298, 800, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 G O6 25 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2294, 796, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 71 G O6 25 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2294, 795, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 72 C N3 24 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2331, 763, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 72 C N3 24 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2331, 762, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 72 C O2 24 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2333, 766, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 72 C O2 24 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2333, 765, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 72 C H41 24 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2329, 761, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 72 C N4 24 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2328, 761, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
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