NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
565472 |
4bzt   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 1 A H8 1 A H1' 3.06 3.23
&rst
ixpk= 0, nxpk= 0, iat= 13, 10, r1= 2.56, r2= 3.06, r3= 3.23, r4= 3.73,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 A H2' 1 A H1' 3.11 4.30
&rst
ixpk= 0, nxpk= 0, iat= 28, 10, r1= 2.61, r2= 3.11, r3= 4.30, r4= 4.80, &end
#
# 1 A H2' 1 A H8 2.69 2.84
&rst
ixpk= 0, nxpk= 0, iat= 28, 13, r1= 2.19, r2= 2.69, r3= 2.84, r4= 3.34, &end
#
# 1 A H2'' 1 A H1' 2.30 2.44
&rst
ixpk= 0, nxpk= 0, iat= 29, 10, r1= 1.80, r2= 2.30, r3= 2.44, r4= 2.94, &end
#
# 1 A H2'' 1 A H8 3.46 4.39
&rst
ixpk= 0, nxpk= 0, iat= 29, 13, r1= 2.96, r2= 3.46, r3= 4.39, r4= 4.89, &end
#
# 1 A H2'' 1 A H3' 3.32 3.37
&rst
ixpk= 0, nxpk= 0, iat= 29, 26, r1= 2.82, r2= 3.32, r3= 3.37, r4= 3.87, &end
#
# 1 A H2'' 1 A H2' 1.89 2.03
&rst
ixpk= 0, nxpk= 0, iat= 29, 28, r1= 1.39, r2= 1.89, r3= 2.03, r4= 2.53, &end
#
# 2 T H6 1 A H1' 3.69 5.47
&rst
ixpk= 0, nxpk= 0, iat= 45, 10, r1= 3.19, r2= 3.69, r3= 5.47, r4= 5.97, &end
#
# 2 T H6 1 A H8 4.32 6.39
&rst
ixpk= 0, nxpk= 0, iat= 45, 13, r1= 3.82, r2= 4.32, r3= 6.39, r4= 6.89, &end
#
# 2 T H6 1 A H2' 2.72 2.93
&rst
ixpk= 0, nxpk= 0, iat= 45, 28, r1= 2.22, r2= 2.72, r3= 2.93, r4= 3.43, &end
#
# 2 T H6 1 A H2'' 2.79 3.01
&rst
ixpk= 0, nxpk= 0, iat= 45, 29, r1= 2.29, r2= 2.79, r3= 3.01, r4= 3.51, &end
#
# 2 T H6 2 T H1' 3.53 4.52
&rst
ixpk= 0, nxpk= 0, iat= 45, 42, r1= 3.03, r2= 3.53, r3= 4.52, r4= 5.02, &end
#
# 2 T M7 1 A H1' 5.45 7.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 10, r1= 4.95, r2= 5.45, r3= 8.55, r4= 9.05,
igr1= 48, 49, 50,
&end
#
# 2 T M7 1 A H8 3.70 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 3.20, r2= 3.70, r3= 4.61, r4= 5.11,
igr1= 48, 49, 50,
&end
#
# 2 T M7 1 A H3' 4.09 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 26, r1= 3.59, r2= 4.09, r3= 5.19, r4= 5.69,
igr1= 48, 49, 50,
&end
#
# 2 T M7 1 A H2' 3.87 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 28, r1= 3.37, r2= 3.87, r3= 5.12, r4= 5.62,
igr1= 48, 49, 50,
&end
#
# 2 T M7 1 A H2'' 3.83 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 29, r1= 3.33, r2= 3.83, r3= 5.01, r4= 5.51,
igr1= 48, 49, 50,
&end
#
# 2 T M7 2 T H6 3.02 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 45, r1= 2.52, r2= 3.02, r3= 3.76, r4= 4.26,
igr1= 48, 49, 50,
&end
#
# 2 T H2' 2 T H1' 2.91 4.32
&rst
ixpk= 0, nxpk= 0, iat= 60, 42, r1= 2.41, r2= 2.91, r3= 4.32, r4= 4.82, &end
#
# 2 T H2' 2 T H6 2.29 2.50
&rst
ixpk= 0, nxpk= 0, iat= 60, 45, r1= 1.79, r2= 2.29, r3= 2.50, r4= 3.00, &end
#
# 2 T H2'' 2 T H1' 2.05 2.26
&rst
ixpk= 0, nxpk= 0, iat= 61, 42, r1= 1.55, r2= 2.05, r3= 2.26, r4= 2.76, &end
#
# 2 T H2'' 2 T H6 3.19 5.08
&rst
ixpk= 0, nxpk= 0, iat= 61, 45, r1= 2.69, r2= 3.19, r3= 5.08, r4= 5.58, &end
#
# 2 T H2'' 2 T M7 4.36 5.66
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 3.86, r2= 4.36, r3= 6.80, r4= 7.30,
igr2= 48, 49, 50,
&end
#
# 3 G H8 3 G H1' 3.93 5.15
&rst
ixpk= 0, nxpk= 0, iat= 77, 74, r1= 3.43, r2= 3.93, r3= 5.15, r4= 5.65, &end
#
# 3 G H2' 3 G H1' 2.79 3.03
&rst
ixpk= 0, nxpk= 0, iat= 93, 74, r1= 2.29, r2= 2.79, r3= 3.03, r4= 3.53, &end
#
# 3 G H2' 3 G H8 2.64 2.76
&rst
ixpk= 0, nxpk= 0, iat= 93, 77, r1= 2.14, r2= 2.64, r3= 2.76, r4= 3.26, &end
#
# 3 G H2' 3 G H3' 3.04 3.23
&rst
ixpk= 0, nxpk= 0, iat= 93, 91, r1= 2.54, r2= 3.04, r3= 3.23, r4= 3.73, &end
#
# 3 G H2'' 3 G H1' 2.74 2.97
&rst
ixpk= 0, nxpk= 0, iat= 94, 74, r1= 2.24, r2= 2.74, r3= 2.97, r4= 3.47, &end
#
# 3 G H2'' 3 G H8 2.96 3.27
&rst
ixpk= 0, nxpk= 0, iat= 94, 77, r1= 2.46, r2= 2.96, r3= 3.27, r4= 3.77, &end
#
# 3 G H2'' 3 G H3' 3.38 3.77
&rst
ixpk= 0, nxpk= 0, iat= 94, 91, r1= 2.88, r2= 3.38, r3= 3.77, r4= 4.27, &end
#
# 3 G H2'' 3 G H2' 2.03 2.16
&rst
ixpk= 0, nxpk= 0, iat= 94, 93, r1= 1.53, r2= 2.03, r3= 2.16, r4= 2.66, &end
#
# 4 C H1' 3 G H1' 2.81 2.93
&rst
ixpk= 0, nxpk= 0, iat= 107, 74, r1= 2.31, r2= 2.81, r3= 2.93, r4= 3.43, &end
#
# 4 C H6 3 G H1' 3.03 3.21
&rst
ixpk= 0, nxpk= 0, iat= 110, 74, r1= 2.53, r2= 3.03, r3= 3.21, r4= 3.71, &end
#
# 4 C H6 3 G H8 4.26 7.27
&rst
ixpk= 0, nxpk= 0, iat= 110, 77, r1= 3.76, r2= 4.26, r3= 7.27, r4= 7.77, &end
#
# 4 C H6 3 G H2'' 2.90 3.08
&rst
ixpk= 0, nxpk= 0, iat= 110, 94, r1= 2.40, r2= 2.90, r3= 3.08, r4= 3.58, &end
#
# 4 C H6 4 C H1' 3.40 4.25
&rst
ixpk= 0, nxpk= 0, iat= 110, 107, r1= 2.90, r2= 3.40, r3= 4.25, r4= 4.75, &end
#
# 4 C H5 3 G H8 3.87 4.43
&rst
ixpk= 0, nxpk= 0, iat= 112, 77, r1= 3.37, r2= 3.87, r3= 4.43, r4= 4.93, &end
#
# 4 C H5 3 G H2' 3.12 3.42
&rst
ixpk= 0, nxpk= 0, iat= 112, 93, r1= 2.62, r2= 3.12, r3= 3.42, r4= 3.92, &end
#
# 4 C H5 3 G H2'' 3.10 3.32
&rst
ixpk= 0, nxpk= 0, iat= 112, 94, r1= 2.60, r2= 3.10, r3= 3.32, r4= 3.82, &end
#
# 4 C H5 4 C H6 2.68 2.79
&rst
ixpk= 0, nxpk= 0, iat= 112, 110, r1= 2.18, r2= 2.68, r3= 2.79, r4= 3.29, &end
#
# 4 C H3' 4 C H6 3.28 3.53
&rst
ixpk= 0, nxpk= 0, iat= 121, 110, r1= 2.78, r2= 3.28, r3= 3.53, r4= 4.03, &end
#
# 4 C H2' 4 C H1' 2.93 4.43
&rst
ixpk= 0, nxpk= 0, iat= 123, 107, r1= 2.43, r2= 2.93, r3= 4.43, r4= 4.93, &end
#
# 4 C H2' 4 C H6 2.48 2.68
&rst
ixpk= 0, nxpk= 0, iat= 123, 110, r1= 1.98, r2= 2.48, r3= 2.68, r4= 3.18, &end
#
# 4 C H2' 4 C H3' 2.78 3.06
&rst
ixpk= 0, nxpk= 0, iat= 123, 121, r1= 2.28, r2= 2.78, r3= 3.06, r4= 3.56, &end
#
# 4 C H2'' 4 C H1' 2.00 2.24
&rst
ixpk= 0, nxpk= 0, iat= 124, 107, r1= 1.50, r2= 2.00, r3= 2.24, r4= 2.74, &end
#
# 4 C H2'' 4 C H6 2.78 3.50
&rst
ixpk= 0, nxpk= 0, iat= 124, 110, r1= 2.28, r2= 2.78, r3= 3.50, r4= 4.00, &end
#
# 4 C H2'' 4 C H2' 1.74 1.99
&rst
ixpk= 0, nxpk= 0, iat= 124, 123, r1= 1.24, r2= 1.74, r3= 1.99, r4= 2.49, &end
#
# 5 A H8 5 A H1' 3.53 3.87
&rst
ixpk= 0, nxpk= 0, iat= 140, 137, r1= 3.03, r2= 3.53, r3= 3.87, r4= 4.37, &end
#
# 5 A H2' 5 A H1' 2.89 3.23
&rst
ixpk= 0, nxpk= 0, iat= 155, 137, r1= 2.39, r2= 2.89, r3= 3.23, r4= 3.73, &end
#
# 5 A H2' 5 A H8 2.54 2.67
&rst
ixpk= 0, nxpk= 0, iat= 155, 140, r1= 2.04, r2= 2.54, r3= 2.67, r4= 3.17, &end
#
# 5 A H2'' 5 A H1' 2.46 2.63
&rst
ixpk= 0, nxpk= 0, iat= 156, 137, r1= 1.96, r2= 2.46, r3= 2.63, r4= 3.13, &end
#
# 5 A H2'' 5 A H8 3.05 3.47
&rst
ixpk= 0, nxpk= 0, iat= 156, 140, r1= 2.55, r2= 3.05, r3= 3.47, r4= 3.97, &end
#
# 5 A H2'' 5 A H2' 2.02 2.20
&rst
ixpk= 0, nxpk= 0, iat= 156, 155, r1= 1.52, r2= 2.02, r3= 2.20, r4= 2.70, &end
#
# 6 T H6 5 A H1' 3.27 3.55
&rst
ixpk= 0, nxpk= 0, iat= 172, 137, r1= 2.77, r2= 3.27, r3= 3.55, r4= 4.05, &end
#
# 6 T H6 5 A H8 3.79 4.44
&rst
ixpk= 0, nxpk= 0, iat= 172, 140, r1= 3.29, r2= 3.79, r3= 4.44, r4= 4.94, &end
#
# 6 T H6 5 A H2' 3.42 4.30
&rst
ixpk= 0, nxpk= 0, iat= 172, 155, r1= 2.92, r2= 3.42, r3= 4.30, r4= 4.80, &end
#
# 6 T H6 5 A H2'' 2.88 3.07
&rst
ixpk= 0, nxpk= 0, iat= 172, 156, r1= 2.38, r2= 2.88, r3= 3.07, r4= 3.57, &end
#
# 6 T H6 6 T H1' 3.29 4.63
&rst
ixpk= 0, nxpk= 0, iat= 172, 169, r1= 2.79, r2= 3.29, r3= 4.63, r4= 5.13, &end
#
# 6 T M7 5 A H1' 4.91 6.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 4.41, r2= 4.91, r3= 7.47, r4= 7.97,
igr1= 175, 176, 177,
&end
#
# 6 T M7 5 A H8 3.90 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 3.40, r2= 3.90, r3= 4.82, r4= 5.32,
igr1= 175, 176, 177,
&end
#
# 6 T M7 5 A H2' 3.86 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 155, r1= 3.36, r2= 3.86, r3= 5.01, r4= 5.51,
igr1= 175, 176, 177,
&end
#
# 6 T M7 5 A H2'' 3.66 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 3.16, r2= 3.66, r3= 4.62, r4= 5.12,
igr1= 175, 176, 177,
&end
#
# 6 T M7 6 T H6 3.11 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 2.61, r2= 3.11, r3= 3.87, r4= 4.37,
igr1= 175, 176, 177,
&end
#
# 6 T H2' 6 T H6 2.36 2.56
&rst
ixpk= 0, nxpk= 0, iat= 187, 172, r1= 1.86, r2= 2.36, r3= 2.56, r4= 3.06, &end
#
# 6 T H2'' 6 T H1' 1.92 2.05
&rst
ixpk= 0, nxpk= 0, iat= 188, 169, r1= 1.42, r2= 1.92, r3= 2.05, r4= 2.55, &end
#
# 6 T H2'' 6 T H6 2.99 3.72
&rst
ixpk= 0, nxpk= 0, iat= 188, 172, r1= 2.49, r2= 2.99, r3= 3.72, r4= 4.22, &end
#
# 7 A H8 7 A H1' 2.96 3.17
&rst
ixpk= 0, nxpk= 0, iat= 203, 200, r1= 2.46, r2= 2.96, r3= 3.17, r4= 3.67, &end
#
# 7 A H2' 7 A H1' 2.87 4.30
&rst
ixpk= 0, nxpk= 0, iat= 218, 200, r1= 2.37, r2= 2.87, r3= 4.30, r4= 4.80, &end
#
# 7 A H2' 7 A H8 2.63 2.80
&rst
ixpk= 0, nxpk= 0, iat= 218, 203, r1= 2.13, r2= 2.63, r3= 2.80, r4= 3.30, &end
#
# 7 A H2'' 7 A H1' 2.21 2.40
&rst
ixpk= 0, nxpk= 0, iat= 219, 200, r1= 1.71, r2= 2.21, r3= 2.40, r4= 2.90, &end
#
# 7 A H2'' 7 A H8 3.50 5.04
&rst
ixpk= 0, nxpk= 0, iat= 219, 203, r1= 3.00, r2= 3.50, r3= 5.04, r4= 5.54, &end
#
# 7 A H2'' 7 A H3' 2.78 6.01
&rst
ixpk= 0, nxpk= 0, iat= 219, 216, r1= 2.28, r2= 2.78, r3= 6.01, r4= 6.51, &end
#
# 7 A H2'' 7 A H2' 1.84 2.01
&rst
ixpk= 0, nxpk= 0, iat= 219, 218, r1= 1.34, r2= 1.84, r3= 2.01, r4= 2.51, &end
#
# 8 T H6 7 A H1' 3.69 4.98
&rst
ixpk= 0, nxpk= 0, iat= 235, 200, r1= 3.19, r2= 3.69, r3= 4.98, r4= 5.48, &end
#
# 8 T H6 7 A H8 4.49 7.24
&rst
ixpk= 0, nxpk= 0, iat= 235, 203, r1= 3.99, r2= 4.49, r3= 7.24, r4= 7.74, &end
#
# 8 T H6 7 A H2' 2.60 2.81
&rst
ixpk= 0, nxpk= 0, iat= 235, 218, r1= 2.10, r2= 2.60, r3= 2.81, r4= 3.31, &end
#
# 8 T H6 7 A H2'' 2.66 3.01
&rst
ixpk= 0, nxpk= 0, iat= 235, 219, r1= 2.16, r2= 2.66, r3= 3.01, r4= 3.51, &end
#
# 8 T H6 8 T H1' 3.17 3.75
&rst
ixpk= 0, nxpk= 0, iat= 235, 232, r1= 2.67, r2= 3.17, r3= 3.75, r4= 4.25, &end
#
# 8 T M7 7 A H1' 5.54 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 200, r1= 5.04, r2= 5.54, r3= 7.04, r4= 7.54,
igr1= 238, 239, 240,
&end
#
# 8 T M7 7 A H8 3.65 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 3.15, r2= 3.65, r3= 4.56, r4= 5.06,
igr1= 238, 239, 240,
&end
#
# 8 T M7 7 A H3' 4.07 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 3.57, r2= 4.07, r3= 5.26, r4= 5.76,
igr1= 238, 239, 240,
&end
#
# 8 T M7 7 A H2' 3.81 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 3.31, r2= 3.81, r3= 5.07, r4= 5.57,
igr1= 238, 239, 240,
&end
#
# 8 T M7 7 A H2'' 3.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 3.30, r2= 3.80, r3= 4.92, r4= 5.42,
igr1= 238, 239, 240,
&end
#
# 8 T M7 8 T H6 2.83 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 2.33, r2= 2.83, r3= 3.66, r4= 4.16,
igr1= 238, 239, 240,
&end
#
# 8 T H2' 8 T H1' 3.16 4.56
&rst
ixpk= 0, nxpk= 0, iat= 250, 232, r1= 2.66, r2= 3.16, r3= 4.56, r4= 5.06, &end
#
# 8 T H2' 8 T H6 2.07 2.35
&rst
ixpk= 0, nxpk= 0, iat= 250, 235, r1= 1.57, r2= 2.07, r3= 2.35, r4= 2.85, &end
#
# 8 T H2'' 8 T H1' 2.10 2.31
&rst
ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.60, r2= 2.10, r3= 2.31, r4= 2.81, &end
#
# 8 T H2'' 8 T M7 4.35 6.42
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 3.85, r2= 4.35, r3= 7.71, r4= 8.21,
igr2= 238, 239, 240,
&end
#
# 9 G H8 9 G H1' 4.05 5.27
&rst
ixpk= 0, nxpk= 0, iat= 267, 264, r1= 3.55, r2= 4.05, r3= 5.27, r4= 5.77, &end
#
# 9 G H2' 9 G H1' 2.81 3.04
&rst
ixpk= 0, nxpk= 0, iat= 283, 264, r1= 2.31, r2= 2.81, r3= 3.04, r4= 3.54, &end
#
# 9 G H2' 9 G H8 2.53 2.69
&rst
ixpk= 0, nxpk= 0, iat= 283, 267, r1= 2.03, r2= 2.53, r3= 2.69, r4= 3.19, &end
#
# 9 G H2' 9 G H3' 2.95 3.16
&rst
ixpk= 0, nxpk= 0, iat= 283, 281, r1= 2.45, r2= 2.95, r3= 3.16, r4= 3.66, &end
#
# 9 G H2'' 9 G H1' 2.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 284, 264, r1= 2.30, r2= 2.80, r3= 2.97, r4= 3.47, &end
#
# 9 G H2'' 9 G H8 2.97 3.53
&rst
ixpk= 0, nxpk= 0, iat= 284, 267, r1= 2.47, r2= 2.97, r3= 3.53, r4= 4.03, &end
#
# 9 G H2'' 9 G H3' 3.41 4.25
&rst
ixpk= 0, nxpk= 0, iat= 284, 281, r1= 2.91, r2= 3.41, r3= 4.25, r4= 4.75, &end
#
# 9 G H2'' 9 G H2' 1.86 2.10
&rst
ixpk= 0, nxpk= 0, iat= 284, 283, r1= 1.36, r2= 1.86, r3= 2.10, r4= 2.60, &end
#
# 10 C H1' 9 G H1' 2.88 3.02
&rst
ixpk= 0, nxpk= 0, iat= 297, 264, r1= 2.38, r2= 2.88, r3= 3.02, r4= 3.52, &end
#
# 10 C H6 9 G H1' 3.08 3.26
&rst
ixpk= 0, nxpk= 0, iat= 300, 264, r1= 2.58, r2= 3.08, r3= 3.26, r4= 3.76, &end
#
# 10 C H6 9 G H8 5.20 6.38
&rst
ixpk= 0, nxpk= 0, iat= 300, 267, r1= 4.70, r2= 5.20, r3= 6.38, r4= 6.88, &end
#
# 10 C H6 9 G H2'' 3.21 4.70
&rst
ixpk= 0, nxpk= 0, iat= 300, 284, r1= 2.71, r2= 3.21, r3= 4.70, r4= 5.20, &end
#
# 10 C H6 10 C H1' 3.35 4.02
&rst
ixpk= 0, nxpk= 0, iat= 300, 297, r1= 2.85, r2= 3.35, r3= 4.02, r4= 4.52, &end
#
# 10 C H5 9 G H8 3.82 4.44
&rst
ixpk= 0, nxpk= 0, iat= 302, 267, r1= 3.32, r2= 3.82, r3= 4.44, r4= 4.94, &end
#
# 10 C H5 9 G H2' 3.16 3.53
&rst
ixpk= 0, nxpk= 0, iat= 302, 283, r1= 2.66, r2= 3.16, r3= 3.53, r4= 4.03, &end
#
# 10 C H5 9 G H2'' 2.95 3.23
&rst
ixpk= 0, nxpk= 0, iat= 302, 284, r1= 2.45, r2= 2.95, r3= 3.23, r4= 3.73, &end
#
# 10 C H5 10 C H6 2.66 2.77
&rst
ixpk= 0, nxpk= 0, iat= 302, 300, r1= 2.16, r2= 2.66, r3= 2.77, r4= 3.27, &end
#
# 10 C H3' 10 C H6 3.31 3.62
&rst
ixpk= 0, nxpk= 0, iat= 311, 300, r1= 2.81, r2= 3.31, r3= 3.62, r4= 4.12, &end
#
# 10 C H2' 10 C H1' 2.91 4.38
&rst
ixpk= 0, nxpk= 0, iat= 313, 297, r1= 2.41, r2= 2.91, r3= 4.38, r4= 4.88, &end
#
# 10 C H2' 10 C H6 2.42 2.66
&rst
ixpk= 0, nxpk= 0, iat= 313, 300, r1= 1.92, r2= 2.42, r3= 2.66, r4= 3.16, &end
#
# 10 C H2' 10 C H3' 2.76 2.97
&rst
ixpk= 0, nxpk= 0, iat= 313, 311, r1= 2.26, r2= 2.76, r3= 2.97, r4= 3.47, &end
#
# 10 C H2'' 10 C H1' 2.06 2.39
&rst
ixpk= 0, nxpk= 0, iat= 314, 297, r1= 1.56, r2= 2.06, r3= 2.39, r4= 2.89, &end
#
# 10 C H2'' 10 C H6 2.87 3.63
&rst
ixpk= 0, nxpk= 0, iat= 314, 300, r1= 2.37, r2= 2.87, r3= 3.63, r4= 4.13, &end
#
# 10 C H2'' 10 C H2' 1.72 2.10
&rst
ixpk= 0, nxpk= 0, iat= 314, 313, r1= 1.22, r2= 1.72, r3= 2.10, r4= 2.60, &end
#
# 11 A H8 11 A H1' 3.28 3.83
&rst
ixpk= 0, nxpk= 0, iat= 330, 327, r1= 2.78, r2= 3.28, r3= 3.83, r4= 4.33, &end
#
# 11 A H2' 11 A H1' 2.89 4.40
&rst
ixpk= 0, nxpk= 0, iat= 345, 327, r1= 2.39, r2= 2.89, r3= 4.40, r4= 4.90, &end
#
# 11 A H2' 11 A H8 2.24 2.51
&rst
ixpk= 0, nxpk= 0, iat= 345, 330, r1= 1.74, r2= 2.24, r3= 2.51, r4= 3.01, &end
#
# 11 A H2'' 11 A H1' 2.19 2.45
&rst
ixpk= 0, nxpk= 0, iat= 346, 327, r1= 1.69, r2= 2.19, r3= 2.45, r4= 2.95, &end
#
# 11 A H2'' 11 A H8 3.14 4.73
&rst
ixpk= 0, nxpk= 0, iat= 346, 330, r1= 2.64, r2= 3.14, r3= 4.73, r4= 5.23, &end
#
# 11 A H2'' 11 A H2' 1.67 1.96
&rst
ixpk= 0, nxpk= 0, iat= 346, 345, r1= 1.17, r2= 1.67, r3= 1.96, r4= 2.46, &end
#
# 12 T H6 11 A H1' 3.31 3.77
&rst
ixpk= 0, nxpk= 0, iat= 362, 327, r1= 2.81, r2= 3.31, r3= 3.77, r4= 4.27, &end
#
# 12 T H6 11 A H8 3.60 4.41
&rst
ixpk= 0, nxpk= 0, iat= 362, 330, r1= 3.10, r2= 3.60, r3= 4.41, r4= 4.91, &end
#
# 12 T H6 11 A H2' 3.75 5.83
&rst
ixpk= 0, nxpk= 0, iat= 362, 345, r1= 3.25, r2= 3.75, r3= 5.83, r4= 6.33, &end
#
# 12 T H6 11 A H2'' 2.62 2.90
&rst
ixpk= 0, nxpk= 0, iat= 362, 346, r1= 2.12, r2= 2.62, r3= 2.90, r4= 3.40, &end
#
# 12 T H6 12 T H1' 3.36 4.35
&rst
ixpk= 0, nxpk= 0, iat= 362, 359, r1= 2.86, r2= 3.36, r3= 4.35, r4= 4.85, &end
#
# 12 T M7 11 A H1' 5.00 6.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 4.50, r2= 5.00, r3= 8.38, r4= 8.88,
igr1= 365, 366, 367,
&end
#
# 12 T M7 11 A H8 3.73 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 330, r1= 3.23, r2= 3.73, r3= 4.64, r4= 5.14,
igr1= 365, 366, 367,
&end
#
# 12 T M7 11 A H2' 3.88 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 3.38, r2= 3.88, r3= 6.06, r4= 6.56,
igr1= 365, 366, 367,
&end
#
# 12 T M7 11 A H2'' 3.48 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 2.98, r2= 3.48, r3= 4.58, r4= 5.08,
igr1= 365, 366, 367,
&end
#
# 12 T M7 12 T H6 3.02 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 2.52, r2= 3.02, r3= 3.78, r4= 4.28,
igr1= 365, 366, 367,
&end
#
# 12 T H2' 12 T H6 2.32 2.54
&rst
ixpk= 0, nxpk= 0, iat= 377, 362, r1= 1.82, r2= 2.32, r3= 2.54, r4= 3.04, &end
#
# 12 T H2'' 12 T H1' 1.89 2.09
&rst
ixpk= 0, nxpk= 0, iat= 378, 359, r1= 1.39, r2= 1.89, r3= 2.09, r4= 2.59, &end
#
# 12 T H2'' 12 T H6 3.00 4.40
&rst
ixpk= 0, nxpk= 0, iat= 378, 362, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90, &end
#
# 13 mln H17 10 C H1' 3.29 3.78
&rst
ixpk= 0, nxpk= 0, iat= 396, 297, r1= 2.79, r2= 3.29, r3= 3.78, r4= 4.28, &end
#
# 13 mln H17 10 C H6 3.20 3.53
&rst
ixpk= 0, nxpk= 0, iat= 396, 300, r1= 2.70, r2= 3.20, r3= 3.53, r4= 4.03, &end
#
# 13 mln H17 10 C H3' 5.04 7.62
&rst
ixpk= 0, nxpk= 0, iat= 396, 311, r1= 4.54, r2= 5.04, r3= 7.62, r4= 8.12, &end
#
# 13 mln H17 10 C H2' 2.86 3.34
&rst
ixpk= 0, nxpk= 0, iat= 396, 313, r1= 2.36, r2= 2.86, r3= 3.34, r4= 3.84, &end
#
# 13 mln H17 10 C H2'' 2.86 3.68
&rst
ixpk= 0, nxpk= 0, iat= 396, 314, r1= 2.36, r2= 2.86, r3= 3.68, r4= 4.18, &end
#
# 13 mln H18 10 C H1' 3.30 3.70
&rst
ixpk= 0, nxpk= 0, iat= 397, 297, r1= 2.80, r2= 3.30, r3= 3.70, r4= 4.20, &end
#
# 13 mln H18 10 C H6 3.37 3.70
&rst
ixpk= 0, nxpk= 0, iat= 397, 300, r1= 2.87, r2= 3.37, r3= 3.70, r4= 4.20, &end
#
# 13 mln H18 10 C H2' 2.79 3.09
&rst
ixpk= 0, nxpk= 0, iat= 397, 313, r1= 2.29, r2= 2.79, r3= 3.09, r4= 3.59, &end
#
# 13 mln H18 10 C H2'' 3.33 4.64
&rst
ixpk= 0, nxpk= 0, iat= 397, 314, r1= 2.83, r2= 3.33, r3= 4.64, r4= 5.14, &end
#
# 13 mln H18 11 A H1' 3.31 3.53
&rst
ixpk= 0, nxpk= 0, iat= 397, 327, r1= 2.81, r2= 3.31, r3= 3.53, r4= 4.03, &end
#
# 13 mln H18 13 mln H17 2.39 2.48
&rst
ixpk= 0, nxpk= 0, iat= 397, 396, r1= 1.89, r2= 2.39, r3= 2.48, r4= 2.98, &end
#
# 13 mln H19 10 C H5 3.43 3.69
&rst
ixpk= 0, nxpk= 0, iat= 398, 302, r1= 2.93, r2= 3.43, r3= 3.69, r4= 4.19, &end
#
# 13 mln H19 10 C H2' 3.14 4.95
&rst
ixpk= 0, nxpk= 0, iat= 398, 313, r1= 2.64, r2= 3.14, r3= 4.95, r4= 5.45, &end
#
# 13 mln H19 10 C H2'' 3.54 4.94
&rst
ixpk= 0, nxpk= 0, iat= 398, 314, r1= 3.04, r2= 3.54, r3= 4.94, r4= 5.44, &end
#
# 13 mln H19 13 mln H18 3.07 3.46
&rst
ixpk= 0, nxpk= 0, iat= 398, 397, r1= 2.57, r2= 3.07, r3= 3.46, r4= 3.96, &end
#
# 13 mln M2 10 C H6 4.42 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 3.92, r2= 4.42, r3= 5.79, r4= 6.29,
igr1= 399, 400, 401,
&end
#
# 13 mln M2 10 C H5 3.93 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 302, r1= 3.43, r2= 3.93, r3= 4.94, r4= 5.44,
igr1= 399, 400, 401,
&end
#
# 13 mln M2 13 mln H17 4.93 6.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 4.43, r2= 4.93, r3= 8.32, r4= 8.82,
igr1= 399, 400, 401,
&end
#
# 13 mln M2 13 mln H18 6.04 6.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 5.54, r2= 6.04, r3= 8.32, r4= 8.82,
igr1= 399, 400, 401,
&end
#
# 13 mln M2 13 mln H19 2.82 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 2.32, r2= 2.82, r3= 3.55, r4= 4.05,
igr1= 399, 400, 401,
&end
#
# 13 mln H25 2 T H1' 2.84 3.99
&rst
ixpk= 0, nxpk= 0, iat= 403, 42, r1= 2.34, r2= 2.84, r3= 3.99, r4= 4.49, &end
#
# 13 mln H25 2 T H2'' 2.23 4.48
&rst
ixpk= 0, nxpk= 0, iat= 403, 61, r1= 1.73, r2= 2.23, r3= 4.48, r4= 4.98, &end
#
# 13 mln H25 3 G H8 3.84 5.64
&rst
ixpk= 0, nxpk= 0, iat= 403, 77, r1= 3.34, r2= 3.84, r3= 5.64, r4= 6.14, &end
#
# 13 mln H25 3 G H2'' 2.73 3.04
&rst
ixpk= 0, nxpk= 0, iat= 403, 94, r1= 2.23, r2= 2.73, r3= 3.04, r4= 3.54, &end
#
# 13 mln H25 13 mln H24 2.11 2.36
&rst
ixpk= 0, nxpk= 0, iat= 403, 402, r1= 1.61, r2= 2.11, r3= 2.36, r4= 2.86, &end
#
# 13 mln H46 2 T M7 3.06 3.21
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 2.56, r2= 3.06, r3= 3.86, r4= 4.36,
igr2= 48, 49, 50,
&end
#
# 13 mln H47 2 T M7 3.82 4.22
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 3.32, r2= 3.82, r3= 5.07, r4= 5.57,
igr2= 48, 49, 50,
&end
#
# 13 mln H51 13 mln H46 2.07 2.19
&rst
ixpk= 0, nxpk= 0, iat= 422, 419, r1= 1.57, r2= 2.07, r3= 2.19, r4= 2.69, &end
#
# 13 mln H52 13 mln H46 1.95 2.07
&rst
ixpk= 0, nxpk= 0, iat= 423, 419, r1= 1.45, r2= 1.95, r3= 2.07, r4= 2.57, &end
#
# 13 mln H52 13 mln H51 2.13 2.25
&rst
ixpk= 0, nxpk= 0, iat= 423, 422, r1= 1.63, r2= 2.13, r3= 2.25, r4= 2.75, &end
#
# 13 mln H56 13 mln H51 2.52 2.62
&rst
ixpk= 0, nxpk= 0, iat= 427, 422, r1= 2.02, r2= 2.52, r3= 2.62, r4= 3.12, &end
#
# 13 mln H56 13 mln H52 2.55 2.67
&rst
ixpk= 0, nxpk= 0, iat= 427, 423, r1= 2.05, r2= 2.55, r3= 2.67, r4= 3.17, &end
#
# 13 mln H56 13 mln H55 2.18 2.27
&rst
ixpk= 0, nxpk= 0, iat= 427, 426, r1= 1.68, r2= 2.18, r3= 2.27, r4= 2.77, &end
#
# 13 mln H58 13 mln H57 2.07 2.16
&rst
ixpk= 0, nxpk= 0, iat= 429, 428, r1= 1.57, r2= 2.07, r3= 2.16, r4= 2.66, &end
#
# 13 mln H63 13 mln H58 2.38 2.60
&rst
ixpk= 0, nxpk= 0, iat= 433, 429, r1= 1.88, r2= 2.38, r3= 2.60, r4= 3.10, &end
#
# 13 mln H64 8 T M7 3.02 3.26
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 2.52, r2= 3.02, r3= 3.92, r4= 4.42,
igr2= 238, 239, 240,
&end
#
# 13 mln H64 13 mln H63 1.91 2.12
&rst
ixpk= 0, nxpk= 0, iat= 434, 433, r1= 1.41, r2= 1.91, r3= 2.12, r4= 2.62, &end
#
# 13 mln H65 8 T M7 3.81 6.83
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 3.31, r2= 3.81, r3= 8.20, r4= 8.70,
igr2= 238, 239, 240,
&end
#
# 13 mln M8 4 C H6 4.18 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 3.68, r2= 4.18, r3= 5.45, r4= 5.95,
igr1= 451, 452, 453,
&end
#
# 13 mln M8 4 C H5 4.04 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 3.54, r2= 4.04, r3= 5.09, r4= 5.59,
igr1= 451, 452, 453,
&end
#
# 13 mln H88 8 T H1' 3.41 3.82
&rst
ixpk= 0, nxpk= 0, iat= 454, 232, r1= 2.91, r2= 3.41, r3= 3.82, r4= 4.32, &end
#
# 13 mln H88 8 T H2'' 2.77 3.04
&rst
ixpk= 0, nxpk= 0, iat= 454, 251, r1= 2.27, r2= 2.77, r3= 3.04, r4= 3.54, &end
#
# 13 mln H88 9 G H8 4.02 5.47
&rst
ixpk= 0, nxpk= 0, iat= 454, 267, r1= 3.52, r2= 4.02, r3= 5.47, r4= 5.97, &end
#
# 13 mln H88 9 G H2'' 2.95 3.14
&rst
ixpk= 0, nxpk= 0, iat= 454, 284, r1= 2.45, r2= 2.95, r3= 3.14, r4= 3.64, &end
#
# 13 mln H89 13 mln H88 2.39 2.49
&rst
ixpk= 0, nxpk= 0, iat= 455, 454, r1= 1.89, r2= 2.39, r3= 2.49, r4= 2.99, &end
#
# 13 mln H90 4 C H1' 3.25 3.65
&rst
ixpk= 0, nxpk= 0, iat= 456, 107, r1= 2.75, r2= 3.25, r3= 3.65, r4= 4.15, &end
#
# 13 mln H90 4 C H6 3.35 3.73
&rst
ixpk= 0, nxpk= 0, iat= 456, 110, r1= 2.85, r2= 3.35, r3= 3.73, r4= 4.23, &end
#
# 13 mln H90 4 C H2' 2.74 2.99
&rst
ixpk= 0, nxpk= 0, iat= 456, 123, r1= 2.24, r2= 2.74, r3= 2.99, r4= 3.49, &end
#
# 13 mln H90 4 C H2'' 3.39 5.64
&rst
ixpk= 0, nxpk= 0, iat= 456, 124, r1= 2.89, r2= 3.39, r3= 5.64, r4= 6.14, &end
#
# 13 mln H90 5 A H1' 3.31 3.54
&rst
ixpk= 0, nxpk= 0, iat= 456, 137, r1= 2.81, r2= 3.31, r3= 3.54, r4= 4.04, &end
#
# 13 mln H90 13 mln M8 5.69 6.86
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 5.19, r2= 5.69, r3= 8.24, r4= 8.74,
igr2= 451, 452, 453,
&end
#
# 13 mln H91 8 T H1' 3.38 3.78
&rst
ixpk= 0, nxpk= 0, iat= 457, 232, r1= 2.88, r2= 3.38, r3= 3.78, r4= 4.28, &end
#
# 13 mln H91 8 T H2' 2.71 2.93
&rst
ixpk= 0, nxpk= 0, iat= 457, 250, r1= 2.21, r2= 2.71, r3= 2.93, r4= 3.43, &end
#
# 13 mln H91 8 T H2'' 3.11 4.75
&rst
ixpk= 0, nxpk= 0, iat= 457, 251, r1= 2.61, r2= 3.11, r3= 4.75, r4= 5.25, &end
#
# 13 mln H91 9 G H8 3.68 4.16
&rst
ixpk= 0, nxpk= 0, iat= 457, 267, r1= 3.18, r2= 3.68, r3= 4.16, r4= 4.66, &end
#
# 13 mln H91 13 mln H88 2.36 2.46
&rst
ixpk= 0, nxpk= 0, iat= 457, 454, r1= 1.86, r2= 2.36, r3= 2.46, r4= 2.96, &end
#
# 13 mln H91 13 mln H89 3.74 5.31
&rst
ixpk= 0, nxpk= 0, iat= 457, 455, r1= 3.24, r2= 3.74, r3= 5.31, r4= 5.81, &end
#
# 13 mln H92 4 C H5 3.49 3.75
&rst
ixpk= 0, nxpk= 0, iat= 458, 112, r1= 2.99, r2= 3.49, r3= 3.75, r4= 4.25, &end
#
# 13 mln H92 4 C H2' 3.42 5.03
&rst
ixpk= 0, nxpk= 0, iat= 458, 123, r1= 2.92, r2= 3.42, r3= 5.03, r4= 5.53, &end
#
# 13 mln H92 4 C H2'' 3.49 5.77
&rst
ixpk= 0, nxpk= 0, iat= 458, 124, r1= 2.99, r2= 3.49, r3= 5.77, r4= 6.27, &end
#
# 13 mln H92 13 mln M8 2.87 2.97
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 2.37, r2= 2.87, r3= 3.57, r4= 4.07,
igr2= 451, 452, 453,
&end
#
# 13 mln H92 13 mln H90 3.09 3.33
&rst
ixpk= 0, nxpk= 0, iat= 458, 456, r1= 2.59, r2= 3.09, r3= 3.33, r4= 3.83, &end
#
# 13 mln H93 4 C H1' 3.22 3.62
&rst
ixpk= 0, nxpk= 0, iat= 459, 107, r1= 2.72, r2= 3.22, r3= 3.62, r4= 4.12, &end
#
# 13 mln H93 4 C H6 3.22 3.58
&rst
ixpk= 0, nxpk= 0, iat= 459, 110, r1= 2.72, r2= 3.22, r3= 3.58, r4= 4.08, &end
#
# 13 mln H93 4 C H3' 4.88 6.43
&rst
ixpk= 0, nxpk= 0, iat= 459, 121, r1= 4.38, r2= 4.88, r3= 6.43, r4= 6.93, &end
#
# 13 mln H93 4 C H2' 2.86 3.18
&rst
ixpk= 0, nxpk= 0, iat= 459, 123, r1= 2.36, r2= 2.86, r3= 3.18, r4= 3.68, &end
#
# 13 mln H93 4 C H2'' 2.99 3.76
&rst
ixpk= 0, nxpk= 0, iat= 459, 124, r1= 2.49, r2= 2.99, r3= 3.76, r4= 4.26, &end
#
# 13 mln H93 13 mln M8 4.31 5.33
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 3.81, r2= 4.31, r3= 6.40, r4= 6.90,
igr2= 451, 452, 453,
&end
#
# 13 mln H93 13 mln H90 2.36 2.45
&rst
ixpk= 0, nxpk= 0, iat= 459, 456, r1= 1.86, r2= 2.36, r3= 2.45, r4= 2.95, &end
#
# 13 mln H96 2 T H1' 3.31 4.09
&rst
ixpk= 0, nxpk= 0, iat= 460, 42, r1= 2.81, r2= 3.31, r3= 4.09, r4= 4.59, &end
#
# 13 mln H96 2 T H2' 3.12 4.78
&rst
ixpk= 0, nxpk= 0, iat= 460, 60, r1= 2.62, r2= 3.12, r3= 4.78, r4= 5.28, &end
#
# 13 mln H96 2 T H2'' 2.59 3.08
&rst
ixpk= 0, nxpk= 0, iat= 460, 61, r1= 2.09, r2= 2.59, r3= 3.08, r4= 3.58, &end
#
# 13 mln H96 3 T H8 3.73 4.10
&rst
ixpk= 0, nxpk= 0, iat= 460, 77, r1= 3.23, r2= 3.73, r3= 4.10, r4= 4.60, &end
#
# 13 mln H96 13 mln H24 4.24 7.19
&rst
ixpk= 0, nxpk= 0, iat= 460, 402, r1= 3.74, r2= 4.24, r3= 7.19, r4= 7.69, &end
#
# 13 mln H96 13 mln H25 2.12 2.36
&rst
ixpk= 0, nxpk= 0, iat= 460, 403, r1= 1.62, r2= 2.12, r3= 2.36, r4= 2.86, &end
#
# 1 A H61 12 T O4 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 18, 369, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 A N1 12 T H3 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 20, 371, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 1 A N1 12 T N3 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 20, 370, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 2 T H3 11 A N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 54, 337, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 2 T N3 11 A N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 53, 337, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 2 T O4 11 A H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 52, 335, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 3 G H1 10 C N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 83, 307, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 3 G H22 10 C O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 87, 309, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 3 G N1 10 C N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 82, 307, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 3 G O6 10 C H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 81, 306, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 3 G O6 10 C N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 81, 304, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 4 C H42 9 G O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 116, 271, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 4 C N3 9 G H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 117, 273, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 4 C N3 9 G N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 117, 272, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 4 C N4 9 G O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 114, 271, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 4 C O2 9 G H22 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 119, 277, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 5 A H61 8 T O4 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 145, 242, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 5 A N1 8 T H3 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 147, 244, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 5 A N1 8 T N3 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 147, 243, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 6 T H3 7 A N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 181, 210, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 6 T N3 7 A N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 180, 210, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 6 T O4 7 A H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 179, 208, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
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