NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
565482 |
4bzv   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 1 T H6 1 T H1' 2.96 5.42
&rst
ixpk= 0, nxpk= 0, iat= 13, 10, r1= 2.46, r2= 2.96, r3= 5.42, r4= 5.92,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 T M7 1 T H6 2.87 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 2.37, r2= 2.87, r3= 3.82, r4= 4.32,
igr1= 16, 17, 18,
&end
#
# 1 T H3' 1 T H6 3.30 4.35
&rst
ixpk= 0, nxpk= 0, iat= 26, 13, r1= 2.80, r2= 3.30, r3= 4.35, r4= 4.85, &end
#
# 1 T H2' 1 T H1' 2.86 4.21
&rst
ixpk= 0, nxpk= 0, iat= 28, 10, r1= 2.36, r2= 2.86, r3= 4.21, r4= 4.71, &end
#
# 1 T H2' 1 T H6 2.26 2.48
&rst
ixpk= 0, nxpk= 0, iat= 28, 13, r1= 1.76, r2= 2.26, r3= 2.48, r4= 2.98, &end
#
# 1 T H2' 1 T H3' 2.26 2.55
&rst
ixpk= 0, nxpk= 0, iat= 28, 26, r1= 1.76, r2= 2.26, r3= 2.55, r4= 3.05, &end
#
# 1 T H2'' 1 T H1' 2.28 2.56
&rst
ixpk= 0, nxpk= 0, iat= 29, 10, r1= 1.78, r2= 2.28, r3= 2.56, r4= 3.06, &end
#
# 1 T H2'' 1 T H6 3.02 4.72
&rst
ixpk= 0, nxpk= 0, iat= 29, 13, r1= 2.52, r2= 3.02, r3= 4.72, r4= 5.22, &end
#
# 1 T H2'' 1 T H3' 2.63 3.45
&rst
ixpk= 0, nxpk= 0, iat= 29, 26, r1= 2.13, r2= 2.63, r3= 3.45, r4= 3.95, &end
#
# 1 T H2'' 1 T H2' 1.88 1.99
&rst
ixpk= 0, nxpk= 0, iat= 29, 28, r1= 1.38, r2= 1.88, r3= 1.99, r4= 2.49, &end
#
# 2 A H8 1 T H1' 3.21 6.13
&rst
ixpk= 0, nxpk= 0, iat= 45, 10, r1= 2.71, r2= 3.21, r3= 6.13, r4= 6.63, &end
#
# 2 A H8 1 T H3' 3.01 4.99
&rst
ixpk= 0, nxpk= 0, iat= 45, 26, r1= 2.51, r2= 3.01, r3= 4.99, r4= 5.49, &end
#
# 2 A H8 1 T H2' 2.88 4.29
&rst
ixpk= 0, nxpk= 0, iat= 45, 28, r1= 2.38, r2= 2.88, r3= 4.29, r4= 4.79, &end
#
# 2 A H8 1 T H2'' 2.86 4.71
&rst
ixpk= 0, nxpk= 0, iat= 45, 29, r1= 2.36, r2= 2.86, r3= 4.71, r4= 5.21, &end
#
# 2 A H8 2 A H1' 2.98 5.17
&rst
ixpk= 0, nxpk= 0, iat= 45, 42, r1= 2.48, r2= 2.98, r3= 5.17, r4= 5.67, &end
#
# 2 A H3' 2 A H8 3.29 6.46
&rst
ixpk= 0, nxpk= 0, iat= 58, 45, r1= 2.79, r2= 3.29, r3= 6.46, r4= 6.96, &end
#
# 2 A H2' 2 A H1' 2.37 3.66
&rst
ixpk= 0, nxpk= 0, iat= 60, 42, r1= 1.87, r2= 2.37, r3= 3.66, r4= 4.16, &end
#
# 2 A H2' 2 A H8 1.90 2.30
&rst
ixpk= 0, nxpk= 0, iat= 60, 45, r1= 1.40, r2= 1.90, r3= 2.30, r4= 2.80, &end
#
# 2 A H2' 2 A H3' 2.07 2.64
&rst
ixpk= 0, nxpk= 0, iat= 60, 58, r1= 1.57, r2= 2.07, r3= 2.64, r4= 3.14, &end
#
# 2 A H2'' 2 A H1' 2.26 2.73
&rst
ixpk= 0, nxpk= 0, iat= 61, 42, r1= 1.76, r2= 2.26, r3= 2.73, r4= 3.23, &end
#
# 2 A H2'' 2 A H8 2.45 4.63
&rst
ixpk= 0, nxpk= 0, iat= 61, 45, r1= 1.95, r2= 2.45, r3= 4.63, r4= 5.13, &end
#
# 2 A H2'' 2 A H3' 2.62 4.32
&rst
ixpk= 0, nxpk= 0, iat= 61, 58, r1= 2.12, r2= 2.62, r3= 4.32, r4= 4.82, &end
#
# 3 C H6 2 A H1' 2.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 77, 42, r1= 2.30, r2= 2.80, r3= 4.07, r4= 4.57, &end
#
# 3 C H6 2 A H8 2.85 5.32
&rst
ixpk= 0, nxpk= 0, iat= 77, 45, r1= 2.35, r2= 2.85, r3= 5.32, r4= 5.82, &end
#
# 3 C H6 2 A H2' 2.16 3.36
&rst
ixpk= 0, nxpk= 0, iat= 77, 60, r1= 1.66, r2= 2.16, r3= 3.36, r4= 3.86, &end
#
# 3 C H6 2 A H2'' 2.39 3.67
&rst
ixpk= 0, nxpk= 0, iat= 77, 61, r1= 1.89, r2= 2.39, r3= 3.67, r4= 4.17, &end
#
# 3 C H6 3 C H1' 2.82 3.95
&rst
ixpk= 0, nxpk= 0, iat= 77, 74, r1= 2.32, r2= 2.82, r3= 3.95, r4= 4.45, &end
#
# 3 C H5 2 A H8 3.10 5.16
&rst
ixpk= 0, nxpk= 0, iat= 79, 45, r1= 2.60, r2= 3.10, r3= 5.16, r4= 5.66, &end
#
# 3 C H5 2 A H2' 2.50 3.70
&rst
ixpk= 0, nxpk= 0, iat= 79, 60, r1= 2.00, r2= 2.50, r3= 3.70, r4= 4.20, &end
#
# 3 C H5 2 A H2'' 2.66 3.88
&rst
ixpk= 0, nxpk= 0, iat= 79, 61, r1= 2.16, r2= 2.66, r3= 3.88, r4= 4.38, &end
#
# 3 C H5 3 C H6 2.20 2.59
&rst
ixpk= 0, nxpk= 0, iat= 79, 77, r1= 1.70, r2= 2.20, r3= 2.59, r4= 3.09, &end
#
# 3 C H2' 3 C H1' 2.35 4.34
&rst
ixpk= 0, nxpk= 0, iat= 90, 74, r1= 1.85, r2= 2.35, r3= 4.34, r4= 4.84, &end
#
# 3 C H2' 3 C H6 1.88 2.82
&rst
ixpk= 0, nxpk= 0, iat= 90, 77, r1= 1.38, r2= 1.88, r3= 2.82, r4= 3.32, &end
#
# 3 C H2' 3 C H5 3.05 5.20
&rst
ixpk= 0, nxpk= 0, iat= 90, 79, r1= 2.55, r2= 3.05, r3= 5.20, r4= 5.70, &end
#
# 3 C H2' 3 C H3' 2.23 2.96
&rst
ixpk= 0, nxpk= 0, iat= 90, 88, r1= 1.73, r2= 2.23, r3= 2.96, r4= 3.46, &end
#
# 3 C H2'' 3 C H1' 2.01 2.48
&rst
ixpk= 0, nxpk= 0, iat= 91, 74, r1= 1.51, r2= 2.01, r3= 2.48, r4= 2.98, &end
#
# 3 C H2'' 3 C H6 2.04 3.69
&rst
ixpk= 0, nxpk= 0, iat= 91, 77, r1= 1.54, r2= 2.04, r3= 3.69, r4= 4.19, &end
#
# 3 C H2'' 3 C H3' 2.55 3.83
&rst
ixpk= 0, nxpk= 0, iat= 91, 88, r1= 2.05, r2= 2.55, r3= 3.83, r4= 4.33, &end
#
# 4 G H8 4 G H1' 2.96 4.89
&rst
ixpk= 0, nxpk= 0, iat= 107, 104, r1= 2.46, r2= 2.96, r3= 4.89, r4= 5.39, &end
#
# 4 G H2' 4 G H1' 2.76 3.66
&rst
ixpk= 0, nxpk= 0, iat= 123, 104, r1= 2.26, r2= 2.76, r3= 3.66, r4= 4.16, &end
#
# 4 G H2' 4 G H8 2.18 2.69
&rst
ixpk= 0, nxpk= 0, iat= 123, 107, r1= 1.68, r2= 2.18, r3= 2.69, r4= 3.19, &end
#
# 4 G H2'' 4 G H1' 2.25 2.90
&rst
ixpk= 0, nxpk= 0, iat= 124, 104, r1= 1.75, r2= 2.25, r3= 2.90, r4= 3.40, &end
#
# 4 G H2'' 4 G H8 2.62 3.70
&rst
ixpk= 0, nxpk= 0, iat= 124, 107, r1= 2.12, r2= 2.62, r3= 3.70, r4= 4.20, &end
#
# 5 C H6 4 G H1' 2.89 4.01
&rst
ixpk= 0, nxpk= 0, iat= 140, 104, r1= 2.39, r2= 2.89, r3= 4.01, r4= 4.51, &end
#
# 5 C H6 4 G H8 3.21 5.84
&rst
ixpk= 0, nxpk= 0, iat= 140, 107, r1= 2.71, r2= 3.21, r3= 5.84, r4= 6.34, &end
#
# 5 C H6 5 C H1' 3.11 5.28
&rst
ixpk= 0, nxpk= 0, iat= 140, 137, r1= 2.61, r2= 3.11, r3= 5.28, r4= 5.78, &end
#
# 5 C H5 4 G H8 3.24 6.54
&rst
ixpk= 0, nxpk= 0, iat= 142, 107, r1= 2.74, r2= 3.24, r3= 6.54, r4= 7.04, &end
#
# 5 C H5 4 G H2' 2.99 5.42
&rst
ixpk= 0, nxpk= 0, iat= 142, 123, r1= 2.49, r2= 2.99, r3= 5.42, r4= 5.92, &end
#
# 5 C H5 5 C H6 2.46 2.90
&rst
ixpk= 0, nxpk= 0, iat= 142, 140, r1= 1.96, r2= 2.46, r3= 2.90, r4= 3.40, &end
#
# 5 C H3' 5 C H6 2.61 3.17
&rst
ixpk= 0, nxpk= 0, iat= 151, 140, r1= 2.11, r2= 2.61, r3= 3.17, r4= 3.67, &end
#
# 5 C H2' 5 C H1' 2.48 2.83
&rst
ixpk= 0, nxpk= 0, iat= 153, 137, r1= 1.98, r2= 2.48, r3= 2.83, r4= 3.33, &end
#
# 5 C H2' 5 C H6 2.42 2.82
&rst
ixpk= 0, nxpk= 0, iat= 153, 140, r1= 1.92, r2= 2.42, r3= 2.82, r4= 3.32, &end
#
# 5 C H2' 5 C H5 3.11 4.94
&rst
ixpk= 0, nxpk= 0, iat= 153, 142, r1= 2.61, r2= 3.11, r3= 4.94, r4= 5.44, &end
#
# 5 C H2' 5 C H3' 2.39 2.75
&rst
ixpk= 0, nxpk= 0, iat= 153, 151, r1= 1.89, r2= 2.39, r3= 2.75, r4= 3.25, &end
#
# 5 C H2'' 5 C H1' 2.10 2.41
&rst
ixpk= 0, nxpk= 0, iat= 154, 137, r1= 1.60, r2= 2.10, r3= 2.41, r4= 2.91, &end
#
# 5 C H2'' 5 C H6 2.51 3.11
&rst
ixpk= 0, nxpk= 0, iat= 154, 140, r1= 2.01, r2= 2.51, r3= 3.11, r4= 3.61, &end
#
# 5 C H2'' 5 C H3' 2.57 3.48
&rst
ixpk= 0, nxpk= 0, iat= 154, 151, r1= 2.07, r2= 2.57, r3= 3.48, r4= 3.98, &end
#
# 5 C H2'' 5 C H2' 2.53 3.14
&rst
ixpk= 0, nxpk= 0, iat= 154, 153, r1= 2.03, r2= 2.53, r3= 3.14, r4= 3.64, &end
#
# 6 G H8 6 G H1' 2.90 4.46
&rst
ixpk= 0, nxpk= 0, iat= 170, 167, r1= 2.40, r2= 2.90, r3= 4.46, r4= 4.96, &end
#
# 6 G H2' 6 G H1' 2.35 5.08
&rst
ixpk= 0, nxpk= 0, iat= 186, 167, r1= 1.85, r2= 2.35, r3= 5.08, r4= 5.58, &end
#
# 6 G H2' 6 G H8 2.05 2.68
&rst
ixpk= 0, nxpk= 0, iat= 186, 170, r1= 1.55, r2= 2.05, r3= 2.68, r4= 3.18, &end
#
# 6 G H2' 6 G H3' 2.45 3.42
&rst
ixpk= 0, nxpk= 0, iat= 186, 184, r1= 1.95, r2= 2.45, r3= 3.42, r4= 3.92, &end
#
# 6 G H2'' 6 G H1' 2.04 2.52
&rst
ixpk= 0, nxpk= 0, iat= 187, 167, r1= 1.54, r2= 2.04, r3= 2.52, r4= 3.02, &end
#
# 6 G H2'' 6 G H8 2.48 4.46
&rst
ixpk= 0, nxpk= 0, iat= 187, 170, r1= 1.98, r2= 2.48, r3= 4.46, r4= 4.96, &end
#
# 6 G H2'' 6 G H3' 2.29 4.10
&rst
ixpk= 0, nxpk= 0, iat= 187, 184, r1= 1.79, r2= 2.29, r3= 4.10, r4= 4.60, &end
#
# 7 T H6 6 G H8 2.84 4.65
&rst
ixpk= 0, nxpk= 0, iat= 203, 170, r1= 2.34, r2= 2.84, r3= 4.65, r4= 5.15, &end
#
# 7 T H6 6 G H2' 2.34 4.58
&rst
ixpk= 0, nxpk= 0, iat= 203, 186, r1= 1.84, r2= 2.34, r3= 4.58, r4= 5.08, &end
#
# 7 T H6 6 G H2'' 2.30 3.17
&rst
ixpk= 0, nxpk= 0, iat= 203, 187, r1= 1.80, r2= 2.30, r3= 3.17, r4= 3.67, &end
#
# 7 T H6 7 T H1' 2.71 3.87
&rst
ixpk= 0, nxpk= 0, iat= 203, 200, r1= 2.21, r2= 2.71, r3= 3.87, r4= 4.37, &end
#
# 7 T M7 6 G H1' 3.67 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 3.17, r2= 3.67, r3= 6.06, r4= 6.56,
igr1= 206, 207, 208,
&end
#
# 7 T M7 6 G H8 3.57 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 3.07, r2= 3.57, r3= 5.02, r4= 5.52,
igr1= 206, 207, 208,
&end
#
# 7 T M7 6 G H2' 3.21 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 2.71, r2= 3.21, r3= 6.85, r4= 7.35,
igr1= 206, 207, 208,
&end
#
# 7 T M7 6 G H2'' 3.24 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 187, r1= 2.74, r2= 3.24, r3= 5.92, r4= 6.42,
igr1= 206, 207, 208,
&end
#
# 7 T M7 7 T H6 2.72 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 203, r1= 2.22, r2= 2.72, r3= 3.73, r4= 4.23,
igr1= 206, 207, 208,
&end
#
# 7 T H3' 7 T H6 2.88 4.17
&rst
ixpk= 0, nxpk= 0, iat= 216, 203, r1= 2.38, r2= 2.88, r3= 4.17, r4= 4.67, &end
#
# 7 T H2' 7 T H1' 2.57 3.12
&rst
ixpk= 0, nxpk= 0, iat= 218, 200, r1= 2.07, r2= 2.57, r3= 3.12, r4= 3.62, &end
#
# 7 T H2' 7 T H6 2.18 2.39
&rst
ixpk= 0, nxpk= 0, iat= 218, 203, r1= 1.68, r2= 2.18, r3= 2.39, r4= 2.89, &end
#
# 7 T H2' 7 T H3' 2.38 2.78
&rst
ixpk= 0, nxpk= 0, iat= 218, 216, r1= 1.88, r2= 2.38, r3= 2.78, r4= 3.28, &end
#
# 7 T H2'' 7 T H1' 2.19 2.42
&rst
ixpk= 0, nxpk= 0, iat= 219, 200, r1= 1.69, r2= 2.19, r3= 2.42, r4= 2.92, &end
#
# 7 T H2'' 7 T H3' 2.56 3.59
&rst
ixpk= 0, nxpk= 0, iat= 219, 216, r1= 2.06, r2= 2.56, r3= 3.59, r4= 4.09, &end
#
# 7 T H2'' 7 T H2' 1.82 2.11
&rst
ixpk= 0, nxpk= 0, iat= 219, 218, r1= 1.32, r2= 1.82, r3= 2.11, r4= 2.61, &end
#
# 8 A H8 7 T H1' 3.16 5.95
&rst
ixpk= 0, nxpk= 0, iat= 235, 200, r1= 2.66, r2= 3.16, r3= 5.95, r4= 6.45, &end
#
# 8 A H8 7 T H2' 2.94 4.73
&rst
ixpk= 0, nxpk= 0, iat= 235, 218, r1= 2.44, r2= 2.94, r3= 4.73, r4= 5.23, &end
#
# 8 A H8 7 T H2'' 2.87 4.15
&rst
ixpk= 0, nxpk= 0, iat= 235, 219, r1= 2.37, r2= 2.87, r3= 4.15, r4= 4.65, &end
#
# 8 A H8 8 A H1' 2.66 3.57
&rst
ixpk= 0, nxpk= 0, iat= 235, 232, r1= 2.16, r2= 2.66, r3= 3.57, r4= 4.07, &end
#
# 8 A H3' 8 A H8 3.03 5.03
&rst
ixpk= 0, nxpk= 0, iat= 248, 235, r1= 2.53, r2= 3.03, r3= 5.03, r4= 5.53, &end
#
# 8 A H2' 8 A H1' 2.45 4.08
&rst
ixpk= 0, nxpk= 0, iat= 250, 232, r1= 1.95, r2= 2.45, r3= 4.08, r4= 4.58, &end
#
# 8 A H2' 8 A H8 2.04 2.34
&rst
ixpk= 0, nxpk= 0, iat= 250, 235, r1= 1.54, r2= 2.04, r3= 2.34, r4= 2.84, &end
#
# 8 A H2' 8 A H3' 2.05 2.33
&rst
ixpk= 0, nxpk= 0, iat= 250, 248, r1= 1.55, r2= 2.05, r3= 2.33, r4= 2.83, &end
#
# 8 A H2'' 8 A H1' 1.96 2.23
&rst
ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.46, r2= 1.96, r3= 2.23, r4= 2.73, &end
#
# 8 A H2'' 8 A H8 2.70 4.71
&rst
ixpk= 0, nxpk= 0, iat= 251, 235, r1= 2.20, r2= 2.70, r3= 4.71, r4= 5.21, &end
#
# 8 A H2'' 8 A H3' 2.90 4.17
&rst
ixpk= 0, nxpk= 0, iat= 251, 248, r1= 2.40, r2= 2.90, r3= 4.17, r4= 4.67, &end
#
# 9 T H6 9 T H1' 2.90 5.01
&rst
ixpk= 0, nxpk= 0, iat= 266, 263, r1= 2.40, r2= 2.90, r3= 5.01, r4= 5.51, &end
#
# 9 T M7 9 T H6 2.92 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 2.42, r2= 2.92, r3= 3.83, r4= 4.33,
igr1= 269, 270, 271,
&end
#
# 9 T H3' 9 T H6 3.13 4.69
&rst
ixpk= 0, nxpk= 0, iat= 279, 266, r1= 2.63, r2= 3.13, r3= 4.69, r4= 5.19, &end
#
# 9 T H2' 9 T H1' 2.90 4.94
&rst
ixpk= 0, nxpk= 0, iat= 281, 263, r1= 2.40, r2= 2.90, r3= 4.94, r4= 5.44, &end
#
# 9 T H2' 9 T H6 2.20 2.42
&rst
ixpk= 0, nxpk= 0, iat= 281, 266, r1= 1.70, r2= 2.20, r3= 2.42, r4= 2.92, &end
#
# 9 T H2' 9 T H3' 2.25 2.56
&rst
ixpk= 0, nxpk= 0, iat= 281, 279, r1= 1.75, r2= 2.25, r3= 2.56, r4= 3.06, &end
#
# 9 T H2'' 9 T H1' 2.18 2.55
&rst
ixpk= 0, nxpk= 0, iat= 282, 263, r1= 1.68, r2= 2.18, r3= 2.55, r4= 3.05, &end
#
# 9 T H2'' 9 T H6 3.17 4.96
&rst
ixpk= 0, nxpk= 0, iat= 282, 266, r1= 2.67, r2= 3.17, r3= 4.96, r4= 5.46, &end
#
# 9 T H2'' 9 T H3' 2.57 3.46
&rst
ixpk= 0, nxpk= 0, iat= 282, 279, r1= 2.07, r2= 2.57, r3= 3.46, r4= 3.96, &end
#
# 9 T H2'' 9 T H2' 1.80 1.99
&rst
ixpk= 0, nxpk= 0, iat= 282, 281, r1= 1.30, r2= 1.80, r3= 1.99, r4= 2.49, &end
#
# 10 A H8 9 T H1' 3.15 4.85
&rst
ixpk= 0, nxpk= 0, iat= 298, 263, r1= 2.65, r2= 3.15, r3= 4.85, r4= 5.35, &end
#
# 10 A H8 9 T H3' 3.02 4.83
&rst
ixpk= 0, nxpk= 0, iat= 298, 279, r1= 2.52, r2= 3.02, r3= 4.83, r4= 5.33, &end
#
# 10 A H8 9 T H2' 2.94 4.73
&rst
ixpk= 0, nxpk= 0, iat= 298, 281, r1= 2.44, r2= 2.94, r3= 4.73, r4= 5.23, &end
#
# 10 A H8 9 T H2'' 2.74 4.51
&rst
ixpk= 0, nxpk= 0, iat= 298, 282, r1= 2.24, r2= 2.74, r3= 4.51, r4= 5.01, &end
#
# 10 A H8 10 A H1' 2.93 5.94
&rst
ixpk= 0, nxpk= 0, iat= 298, 295, r1= 2.43, r2= 2.93, r3= 5.94, r4= 6.44, &end
#
# 10 A H3' 10 A H8 3.50 6.72
&rst
ixpk= 0, nxpk= 0, iat= 311, 298, r1= 3.00, r2= 3.50, r3= 6.72, r4= 7.22, &end
#
# 10 A H2' 10 A H1' 2.28 3.55
&rst
ixpk= 0, nxpk= 0, iat= 313, 295, r1= 1.78, r2= 2.28, r3= 3.55, r4= 4.05, &end
#
# 10 A H2' 10 A H8 1.92 2.32
&rst
ixpk= 0, nxpk= 0, iat= 313, 298, r1= 1.42, r2= 1.92, r3= 2.32, r4= 2.82, &end
#
# 10 A H2' 10 A H3' 2.11 2.78
&rst
ixpk= 0, nxpk= 0, iat= 313, 311, r1= 1.61, r2= 2.11, r3= 2.78, r4= 3.28, &end
#
# 10 A H2'' 10 A H1' 2.13 2.76
&rst
ixpk= 0, nxpk= 0, iat= 314, 295, r1= 1.63, r2= 2.13, r3= 2.76, r4= 3.26, &end
#
# 10 A H2'' 10 A H8 2.31 5.88
&rst
ixpk= 0, nxpk= 0, iat= 314, 298, r1= 1.81, r2= 2.31, r3= 5.88, r4= 6.38, &end
#
# 10 A H2'' 10 A H3' 2.57 4.40
&rst
ixpk= 0, nxpk= 0, iat= 314, 311, r1= 2.07, r2= 2.57, r3= 4.40, r4= 4.90, &end
#
# 11 C H6 10 A H1' 2.82 4.01
&rst
ixpk= 0, nxpk= 0, iat= 330, 295, r1= 2.32, r2= 2.82, r3= 4.01, r4= 4.51, &end
#
# 11 C H6 10 A H8 2.83 5.82
&rst
ixpk= 0, nxpk= 0, iat= 330, 298, r1= 2.33, r2= 2.83, r3= 5.82, r4= 6.32, &end
#
# 11 C H6 10 A H2' 2.28 3.62
&rst
ixpk= 0, nxpk= 0, iat= 330, 313, r1= 1.78, r2= 2.28, r3= 3.62, r4= 4.12, &end
#
# 11 C H6 10 A H2'' 2.34 3.72
&rst
ixpk= 0, nxpk= 0, iat= 330, 314, r1= 1.84, r2= 2.34, r3= 3.72, r4= 4.22, &end
#
# 11 C H6 11 C H1' 2.79 6.26
&rst
ixpk= 0, nxpk= 0, iat= 330, 327, r1= 2.29, r2= 2.79, r3= 6.26, r4= 6.76, &end
#
# 11 C H5 10 A H8 3.00 5.91
&rst
ixpk= 0, nxpk= 0, iat= 332, 298, r1= 2.50, r2= 3.00, r3= 5.91, r4= 6.41, &end
#
# 11 C H5 10 A H2' 2.54 4.16
&rst
ixpk= 0, nxpk= 0, iat= 332, 313, r1= 2.04, r2= 2.54, r3= 4.16, r4= 4.66, &end
#
# 11 C H5 10 A H2'' 2.45 5.37
&rst
ixpk= 0, nxpk= 0, iat= 332, 314, r1= 1.95, r2= 2.45, r3= 5.37, r4= 5.87, &end
#
# 11 C H5 11 C H6 2.24 2.62
&rst
ixpk= 0, nxpk= 0, iat= 332, 330, r1= 1.74, r2= 2.24, r3= 2.62, r4= 3.12, &end
#
# 11 C H2' 11 C H1' 2.41 4.23
&rst
ixpk= 0, nxpk= 0, iat= 343, 327, r1= 1.91, r2= 2.41, r3= 4.23, r4= 4.73, &end
#
# 11 C H2' 11 C H6 2.07 3.50
&rst
ixpk= 0, nxpk= 0, iat= 343, 330, r1= 1.57, r2= 2.07, r3= 3.50, r4= 4.00, &end
#
# 11 C H2' 11 C H5 2.95 4.77
&rst
ixpk= 0, nxpk= 0, iat= 343, 332, r1= 2.45, r2= 2.95, r3= 4.77, r4= 5.27, &end
#
# 11 C H2' 11 C H3' 2.24 3.07
&rst
ixpk= 0, nxpk= 0, iat= 343, 341, r1= 1.74, r2= 2.24, r3= 3.07, r4= 3.57, &end
#
# 11 C H2'' 11 C H1' 1.99 2.56
&rst
ixpk= 0, nxpk= 0, iat= 344, 327, r1= 1.49, r2= 1.99, r3= 2.56, r4= 3.06, &end
#
# 11 C H2'' 11 C H6 2.16 3.26
&rst
ixpk= 0, nxpk= 0, iat= 344, 330, r1= 1.66, r2= 2.16, r3= 3.26, r4= 3.76, &end
#
# 11 C H2'' 11 C H3' 2.54 3.84
&rst
ixpk= 0, nxpk= 0, iat= 344, 341, r1= 2.04, r2= 2.54, r3= 3.84, r4= 4.34, &end
#
# 12 G H8 12 G H1' 3.10 4.65
&rst
ixpk= 0, nxpk= 0, iat= 360, 357, r1= 2.60, r2= 3.10, r3= 4.65, r4= 5.15, &end
#
# 12 G H2' 12 G H1' 2.83 3.73
&rst
ixpk= 0, nxpk= 0, iat= 376, 357, r1= 2.33, r2= 2.83, r3= 3.73, r4= 4.23, &end
#
# 12 G H2' 12 G H8 2.29 2.68
&rst
ixpk= 0, nxpk= 0, iat= 376, 360, r1= 1.79, r2= 2.29, r3= 2.68, r4= 3.18, &end
#
# 12 G H2'' 12 G H1' 2.22 2.88
&rst
ixpk= 0, nxpk= 0, iat= 377, 357, r1= 1.72, r2= 2.22, r3= 2.88, r4= 3.38, &end
#
# 12 G H2'' 12 G H8 2.81 4.16
&rst
ixpk= 0, nxpk= 0, iat= 377, 360, r1= 2.31, r2= 2.81, r3= 4.16, r4= 4.66, &end
#
# 13 C H6 12 G H1' 2.94 4.57
&rst
ixpk= 0, nxpk= 0, iat= 393, 357, r1= 2.44, r2= 2.94, r3= 4.57, r4= 5.07, &end
#
# 13 C H6 12 G H8 3.35 6.34
&rst
ixpk= 0, nxpk= 0, iat= 393, 360, r1= 2.85, r2= 3.35, r3= 6.34, r4= 6.84, &end
#
# 13 C H6 13 C H1' 3.17 4.61
&rst
ixpk= 0, nxpk= 0, iat= 393, 390, r1= 2.67, r2= 3.17, r3= 4.61, r4= 5.11, &end
#
# 13 C H5 12 G H8 3.18 4.85
&rst
ixpk= 0, nxpk= 0, iat= 395, 360, r1= 2.68, r2= 3.18, r3= 4.85, r4= 5.35, &end
#
# 13 C H5 12 G H2' 2.82 3.81
&rst
ixpk= 0, nxpk= 0, iat= 395, 376, r1= 2.32, r2= 2.82, r3= 3.81, r4= 4.31, &end
#
# 13 C H5 13 C H6 2.52 2.86
&rst
ixpk= 0, nxpk= 0, iat= 395, 393, r1= 2.02, r2= 2.52, r3= 2.86, r4= 3.36, &end
#
# 13 C H3' 13 C H6 2.69 3.30
&rst
ixpk= 0, nxpk= 0, iat= 404, 393, r1= 2.19, r2= 2.69, r3= 3.30, r4= 3.80, &end
#
# 13 C H2' 13 C H1' 2.21 2.93
&rst
ixpk= 0, nxpk= 0, iat= 406, 390, r1= 1.71, r2= 2.21, r3= 2.93, r4= 3.43, &end
#
# 13 C H2' 13 C H6 2.36 2.94
&rst
ixpk= 0, nxpk= 0, iat= 406, 393, r1= 1.86, r2= 2.36, r3= 2.94, r4= 3.44, &end
#
# 13 C H2' 13 C H5 3.15 4.59
&rst
ixpk= 0, nxpk= 0, iat= 406, 395, r1= 2.65, r2= 3.15, r3= 4.59, r4= 5.09, &end
#
# 13 C H2' 13 C H3' 2.38 2.74
&rst
ixpk= 0, nxpk= 0, iat= 406, 404, r1= 1.88, r2= 2.38, r3= 2.74, r4= 3.24, &end
#
# 13 C H2'' 13 C H1' 1.83 2.22
&rst
ixpk= 0, nxpk= 0, iat= 407, 390, r1= 1.33, r2= 1.83, r3= 2.22, r4= 2.72, &end
#
# 13 C H2'' 13 C H6 2.30 2.96
&rst
ixpk= 0, nxpk= 0, iat= 407, 393, r1= 1.80, r2= 2.30, r3= 2.96, r4= 3.46, &end
#
# 13 C H2'' 13 C H3' 2.55 3.44
&rst
ixpk= 0, nxpk= 0, iat= 407, 404, r1= 2.05, r2= 2.55, r3= 3.44, r4= 3.94, &end
#
# 13 C H2'' 13 C H2' 2.33 3.10
&rst
ixpk= 0, nxpk= 0, iat= 407, 406, r1= 1.83, r2= 2.33, r3= 3.10, r4= 3.60, &end
#
# 14 G H8 14 G H1' 2.90 4.30
&rst
ixpk= 0, nxpk= 0, iat= 423, 420, r1= 2.40, r2= 2.90, r3= 4.30, r4= 4.80, &end
#
# 14 G H2' 14 G H1' 2.57 4.41
&rst
ixpk= 0, nxpk= 0, iat= 439, 420, r1= 2.07, r2= 2.57, r3= 4.41, r4= 4.91, &end
#
# 14 G H2' 14 G H8 2.02 2.69
&rst
ixpk= 0, nxpk= 0, iat= 439, 423, r1= 1.52, r2= 2.02, r3= 2.69, r4= 3.19, &end
#
# 14 G H2' 14 G H3' 2.52 3.62
&rst
ixpk= 0, nxpk= 0, iat= 439, 437, r1= 2.02, r2= 2.52, r3= 3.62, r4= 4.12, &end
#
# 14 G H2'' 14 G H1' 2.04 2.68
&rst
ixpk= 0, nxpk= 0, iat= 440, 420, r1= 1.54, r2= 2.04, r3= 2.68, r4= 3.18, &end
#
# 14 G H2'' 14 G H8 2.54 6.02
&rst
ixpk= 0, nxpk= 0, iat= 440, 423, r1= 2.04, r2= 2.54, r3= 6.02, r4= 6.52, &end
#
# 14 G H2'' 14 G H3' 2.53 4.64
&rst
ixpk= 0, nxpk= 0, iat= 440, 437, r1= 2.03, r2= 2.53, r3= 4.64, r4= 5.14, &end
#
# 15 T H6 14 G H8 2.73 4.17
&rst
ixpk= 0, nxpk= 0, iat= 456, 423, r1= 2.23, r2= 2.73, r3= 4.17, r4= 4.67, &end
#
# 15 T H6 14 G H2' 2.30 4.06
&rst
ixpk= 0, nxpk= 0, iat= 456, 439, r1= 1.80, r2= 2.30, r3= 4.06, r4= 4.56, &end
#
# 15 T H6 14 G H2'' 2.08 2.89
&rst
ixpk= 0, nxpk= 0, iat= 456, 440, r1= 1.58, r2= 2.08, r3= 2.89, r4= 3.39, &end
#
# 15 T H6 15 T H1' 2.58 3.83
&rst
ixpk= 0, nxpk= 0, iat= 456, 453, r1= 2.08, r2= 2.58, r3= 3.83, r4= 4.33, &end
#
# 15 T M7 14 G H1' 3.79 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 3.29, r2= 3.79, r3= 6.67, r4= 7.17,
igr1= 459, 460, 461,
&end
#
# 15 T M7 14 G H8 3.54 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 3.04, r2= 3.54, r3= 5.21, r4= 5.71,
igr1= 459, 460, 461,
&end
#
# 15 T M7 14 G H2' 3.31 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 2.81, r2= 3.31, r3= 5.39, r4= 5.89,
igr1= 459, 460, 461,
&end
#
# 15 T M7 14 G H2'' 3.27 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 2.77, r2= 3.27, r3= 5.42, r4= 5.92,
igr1= 459, 460, 461,
&end
#
# 15 T M7 15 T H6 2.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 2.30, r2= 2.80, r3= 3.76, r4= 4.26,
igr1= 459, 460, 461,
&end
#
# 15 T H3' 15 T H6 2.96 4.29
&rst
ixpk= 0, nxpk= 0, iat= 469, 456, r1= 2.46, r2= 2.96, r3= 4.29, r4= 4.79, &end
#
# 15 T H2' 15 T H1' 2.49 3.56
&rst
ixpk= 0, nxpk= 0, iat= 471, 453, r1= 1.99, r2= 2.49, r3= 3.56, r4= 4.06, &end
#
# 15 T H2' 15 T H6 2.10 2.45
&rst
ixpk= 0, nxpk= 0, iat= 471, 456, r1= 1.60, r2= 2.10, r3= 2.45, r4= 2.95, &end
#
# 15 T H2' 15 T H3' 2.33 2.68
&rst
ixpk= 0, nxpk= 0, iat= 471, 469, r1= 1.83, r2= 2.33, r3= 2.68, r4= 3.18, &end
#
# 15 T H2'' 15 T H1' 2.11 2.38
&rst
ixpk= 0, nxpk= 0, iat= 472, 453, r1= 1.61, r2= 2.11, r3= 2.38, r4= 2.88, &end
#
# 15 T H2'' 15 T H3' 2.50 3.07
&rst
ixpk= 0, nxpk= 0, iat= 472, 469, r1= 2.00, r2= 2.50, r3= 3.07, r4= 3.57, &end
#
# 15 T H2'' 15 T H2' 1.84 2.03
&rst
ixpk= 0, nxpk= 0, iat= 472, 471, r1= 1.34, r2= 1.84, r3= 2.03, r4= 2.53, &end
#
# 16 A H8 15 T H1' 3.28 5.34
&rst
ixpk= 0, nxpk= 0, iat= 488, 453, r1= 2.78, r2= 3.28, r3= 5.34, r4= 5.84, &end
#
# 16 A H8 15 T H2' 2.91 3.93
&rst
ixpk= 0, nxpk= 0, iat= 488, 471, r1= 2.41, r2= 2.91, r3= 3.93, r4= 4.43, &end
#
# 16 A H8 15 T H2'' 2.82 4.15
&rst
ixpk= 0, nxpk= 0, iat= 488, 472, r1= 2.32, r2= 2.82, r3= 4.15, r4= 4.65, &end
#
# 16 A H8 16 A H1' 2.68 3.83
&rst
ixpk= 0, nxpk= 0, iat= 488, 485, r1= 2.18, r2= 2.68, r3= 3.83, r4= 4.33, &end
#
# 16 A H3' 16 A H8 3.08 4.46
&rst
ixpk= 0, nxpk= 0, iat= 501, 488, r1= 2.58, r2= 3.08, r3= 4.46, r4= 4.96, &end
#
# 16 A H2' 16 A H1' 2.83 3.36
&rst
ixpk= 0, nxpk= 0, iat= 503, 485, r1= 2.33, r2= 2.83, r3= 3.36, r4= 3.86, &end
#
# 16 A H2' 16 A H8 1.98 2.43
&rst
ixpk= 0, nxpk= 0, iat= 503, 488, r1= 1.48, r2= 1.98, r3= 2.43, r4= 2.93, &end
#
# 16 A H2' 16 A H3' 2.03 2.37
&rst
ixpk= 0, nxpk= 0, iat= 503, 501, r1= 1.53, r2= 2.03, r3= 2.37, r4= 2.87, &end
#
# 16 A H2'' 16 A H1' 1.96 2.21
&rst
ixpk= 0, nxpk= 0, iat= 504, 485, r1= 1.46, r2= 1.96, r3= 2.21, r4= 2.71, &end
#
# 16 A H2'' 16 A H8 2.90 4.48
&rst
ixpk= 0, nxpk= 0, iat= 504, 488, r1= 2.40, r2= 2.90, r3= 4.48, r4= 4.98, &end
#
# 16 A H2'' 16 A H3' 2.78 4.00
&rst
ixpk= 0, nxpk= 0, iat= 504, 501, r1= 2.28, r2= 2.78, r3= 4.00, r4= 4.50, &end
#
# 17 mln H17 13 C H1' 2.83 4.81
&rst
ixpk= 0, nxpk= 0, iat= 522, 390, r1= 2.33, r2= 2.83, r3= 4.81, r4= 5.31, &end
#
# 17 mln H17 13 C H6 2.98 4.38
&rst
ixpk= 0, nxpk= 0, iat= 522, 393, r1= 2.48, r2= 2.98, r3= 4.38, r4= 4.88, &end
#
# 17 mln H17 13 C H3' 3.18 5.08
&rst
ixpk= 0, nxpk= 0, iat= 522, 404, r1= 2.68, r2= 3.18, r3= 5.08, r4= 5.58, &end
#
# 17 mln H17 13 C H2' 2.46 4.00
&rst
ixpk= 0, nxpk= 0, iat= 522, 406, r1= 1.96, r2= 2.46, r3= 4.00, r4= 4.50, &end
#
# 17 mln H17 13 C H2'' 2.31 3.49
&rst
ixpk= 0, nxpk= 0, iat= 522, 407, r1= 1.81, r2= 2.31, r3= 3.49, r4= 3.99, &end
#
# 17 mln H17 14 C H8 2.91 4.49
&rst
ixpk= 0, nxpk= 0, iat= 522, 423, r1= 2.41, r2= 2.91, r3= 4.49, r4= 4.99, &end
#
# 17 mln H18 13 C H1' 2.90 3.86
&rst
ixpk= 0, nxpk= 0, iat= 523, 390, r1= 2.40, r2= 2.90, r3= 3.86, r4= 4.36, &end
#
# 17 mln H18 13 C H2' 2.73 3.71
&rst
ixpk= 0, nxpk= 0, iat= 523, 406, r1= 2.23, r2= 2.73, r3= 3.71, r4= 4.21, &end
#
# 17 mln H18 13 C H2'' 2.71 4.18
&rst
ixpk= 0, nxpk= 0, iat= 523, 407, r1= 2.21, r2= 2.71, r3= 4.18, r4= 4.68, &end
#
# 17 mln H18 14 G H1' 2.99 5.48
&rst
ixpk= 0, nxpk= 0, iat= 523, 420, r1= 2.49, r2= 2.99, r3= 5.48, r4= 5.98, &end
#
# 17 mln H18 14 G H8 3.13 4.96
&rst
ixpk= 0, nxpk= 0, iat= 523, 423, r1= 2.63, r2= 3.13, r3= 4.96, r4= 5.46, &end
#
# 17 mln H18 17 mln H17 2.23 2.48
&rst
ixpk= 0, nxpk= 0, iat= 523, 522, r1= 1.73, r2= 2.23, r3= 2.48, r4= 2.98, &end
#
# 17 mln H19 17 mln H17 1.96 2.33
&rst
ixpk= 0, nxpk= 0, iat= 524, 522, r1= 1.46, r2= 1.96, r3= 2.33, r4= 2.83, &end
#
# 17 mln H19 17 mln H18 3.25 6.13
&rst
ixpk= 0, nxpk= 0, iat= 524, 523, r1= 2.75, r2= 3.25, r3= 6.13, r4= 6.63, &end
#
# 17 mln M2 13 C H5 3.51 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 3.01, r2= 3.51, r3= 4.86, r4= 5.36,
igr1= 525, 526, 527,
&end
#
# 17 mln M2 17 mln H17 3.99 6.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 3.49, r2= 3.99, r3= 8.06, r4= 8.56,
igr1= 525, 526, 527,
&end
#
# 17 mln M2 17 mln H19 2.75 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 2.25, r2= 2.75, r3= 3.66, r4= 4.16,
igr1= 525, 526, 527,
&end
#
# 17 mln H25 17 mln H24 2.21 2.47
&rst
ixpk= 0, nxpk= 0, iat= 529, 528, r1= 1.71, r2= 2.21, r3= 2.47, r4= 2.97, &end
#
# 17 mln H46 3 C H5 2.62 4.30
&rst
ixpk= 0, nxpk= 0, iat= 545, 79, r1= 2.12, r2= 2.62, r3= 4.30, r4= 4.80, &end
#
# 17 mln H47 3 C H5 2.78 3.97
&rst
ixpk= 0, nxpk= 0, iat= 546, 79, r1= 2.28, r2= 2.78, r3= 3.97, r4= 4.47, &end
#
# 17 mln H47 17 mln M2 3.48 4.83
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 2.98, r2= 3.48, r3= 5.80, r4= 6.30,
igr2= 525, 526, 527,
&end
#
# 17 mln H51 17 mln M2 3.29 4.51
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 2.79, r2= 3.29, r3= 5.42, r4= 5.92,
igr2= 525, 526, 527,
&end
#
# 17 mln H51 17 mln H46 1.90 2.56
&rst
ixpk= 0, nxpk= 0, iat= 548, 545, r1= 1.40, r2= 1.90, r3= 2.56, r4= 3.06, &end
#
# 17 mln H52 17 mln M2 3.63 4.78
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 3.13, r2= 3.63, r3= 5.74, r4= 6.24,
igr2= 525, 526, 527,
&end
#
# 17 mln H52 17 mln H46 1.98 2.32
&rst
ixpk= 0, nxpk= 0, iat= 549, 545, r1= 1.48, r2= 1.98, r3= 2.32, r4= 2.82, &end
#
# 17 mln H52 17 mln H47 2.05 2.26
&rst
ixpk= 0, nxpk= 0, iat= 549, 546, r1= 1.55, r2= 2.05, r3= 2.26, r4= 2.76, &end
#
# 17 mln H52 17 mln H51 2.38 3.94
&rst
ixpk= 0, nxpk= 0, iat= 549, 548, r1= 1.88, r2= 2.38, r3= 3.94, r4= 4.44, &end
#
# 17 mln H55 17 mln H51 2.42 2.78
&rst
ixpk= 0, nxpk= 0, iat= 552, 548, r1= 1.92, r2= 2.42, r3= 2.78, r4= 3.28, &end
#
# 17 mln H56 17 mln H51 1.84 2.09
&rst
ixpk= 0, nxpk= 0, iat= 553, 548, r1= 1.34, r2= 1.84, r3= 2.09, r4= 2.59, &end
#
# 17 mln H56 17 mln H52 2.39 3.71
&rst
ixpk= 0, nxpk= 0, iat= 553, 549, r1= 1.89, r2= 2.39, r3= 3.71, r4= 4.21, &end
#
# 17 mln H56 17 mln H55 2.12 2.25
&rst
ixpk= 0, nxpk= 0, iat= 553, 552, r1= 1.62, r2= 2.12, r3= 2.25, r4= 2.75, &end
#
# 17 mln H58 17 mln H57 1.98 2.16
&rst
ixpk= 0, nxpk= 0, iat= 555, 554, r1= 1.48, r2= 1.98, r3= 2.16, r4= 2.66, &end
#
# 17 mln H63 17 mln H58 2.56 2.74
&rst
ixpk= 0, nxpk= 0, iat= 559, 555, r1= 2.06, r2= 2.56, r3= 2.74, r4= 3.24, &end
#
# 17 mln H64 11 C H5 2.74 3.88
&rst
ixpk= 0, nxpk= 0, iat= 560, 332, r1= 2.24, r2= 2.74, r3= 3.88, r4= 4.38, &end
#
# 17 mln H64 17 mln H63 2.15 2.78
&rst
ixpk= 0, nxpk= 0, iat= 560, 559, r1= 1.65, r2= 2.15, r3= 2.78, r4= 3.28, &end
#
# 17 mln H65 11 C H5 2.82 4.77
&rst
ixpk= 0, nxpk= 0, iat= 561, 332, r1= 2.32, r2= 2.82, r3= 4.77, r4= 5.27, &end
#
# 17 mln H65 17 mln H63 1.87 2.08
&rst
ixpk= 0, nxpk= 0, iat= 561, 559, r1= 1.37, r2= 1.87, r3= 2.08, r4= 2.58, &end
#
# 17 mln M8 5 C H5 3.56 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 3.06, r2= 3.56, r3= 5.00, r4= 5.50,
igr1= 577, 578, 579,
&end
#
# 17 mln M8 17 mln H63 3.50 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 3.00, r2= 3.50, r3= 6.21, r4= 6.71,
igr1= 577, 578, 579,
&end
#
# 17 mln M8 17 mln H65 3.39 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 2.89, r2= 3.39, r3= 5.27, r4= 5.77,
igr1= 577, 578, 579,
&end
#
# 17 mln H90 5 C H1' 3.00 3.93
&rst
ixpk= 0, nxpk= 0, iat= 582, 137, r1= 2.50, r2= 3.00, r3= 3.93, r4= 4.43, &end
#
# 17 mln H90 5 C H2' 2.77 3.62
&rst
ixpk= 0, nxpk= 0, iat= 582, 153, r1= 2.27, r2= 2.77, r3= 3.62, r4= 4.12, &end
#
# 17 mln H90 5 C H2'' 2.88 4.03
&rst
ixpk= 0, nxpk= 0, iat= 582, 154, r1= 2.38, r2= 2.88, r3= 4.03, r4= 4.53, &end
#
# 17 mln H90 6 G H1' 2.93 4.83
&rst
ixpk= 0, nxpk= 0, iat= 582, 167, r1= 2.43, r2= 2.93, r3= 4.83, r4= 5.33, &end
#
# 17 mln H90 6 G H8 3.24 4.94
&rst
ixpk= 0, nxpk= 0, iat= 582, 170, r1= 2.74, r2= 3.24, r3= 4.94, r4= 5.44, &end
#
# 17 mln H91 11 C H1' 2.86 4.20
&rst
ixpk= 0, nxpk= 0, iat= 583, 327, r1= 2.36, r2= 2.86, r3= 4.20, r4= 4.70, &end
#
# 17 mln H91 11 C H2' 2.14 3.10
&rst
ixpk= 0, nxpk= 0, iat= 583, 343, r1= 1.64, r2= 2.14, r3= 3.10, r4= 3.60, &end
#
# 17 mln H91 11 C H2'' 2.52 3.75
&rst
ixpk= 0, nxpk= 0, iat= 583, 344, r1= 2.02, r2= 2.52, r3= 3.75, r4= 4.25, &end
#
# 17 mln H91 12 G H8 3.03 4.58
&rst
ixpk= 0, nxpk= 0, iat= 583, 360, r1= 2.53, r2= 3.03, r3= 4.58, r4= 5.08, &end
#
# 17 mln H91 17 mln H88 2.22 2.54
&rst
ixpk= 0, nxpk= 0, iat= 583, 580, r1= 1.72, r2= 2.22, r3= 2.54, r4= 3.04, &end
#
# 17 mln H91 17 mln H89 3.22 5.58
&rst
ixpk= 0, nxpk= 0, iat= 583, 581, r1= 2.72, r2= 3.22, r3= 5.58, r4= 6.08, &end
#
# 17 mln H92 17 mln M8 2.70 2.97
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 2.20, r2= 2.70, r3= 3.57, r4= 4.07,
igr2= 577, 578, 579,
&end
#
# 17 mln H92 17 mln H90 3.14 4.65
&rst
ixpk= 0, nxpk= 0, iat= 584, 582, r1= 2.64, r2= 3.14, r3= 4.65, r4= 5.15, &end
#
# 17 mln H93 5 C H1' 2.78 4.37
&rst
ixpk= 0, nxpk= 0, iat= 585, 137, r1= 2.28, r2= 2.78, r3= 4.37, r4= 4.87, &end
#
# 17 mln H93 5 C H6 2.97 5.02
&rst
ixpk= 0, nxpk= 0, iat= 585, 140, r1= 2.47, r2= 2.97, r3= 5.02, r4= 5.52, &end
#
# 17 mln H93 5 C H3' 3.08 5.14
&rst
ixpk= 0, nxpk= 0, iat= 585, 151, r1= 2.58, r2= 3.08, r3= 5.14, r4= 5.64, &end
#
# 17 mln H93 5 C H2' 2.54 3.33
&rst
ixpk= 0, nxpk= 0, iat= 585, 153, r1= 2.04, r2= 2.54, r3= 3.33, r4= 3.83, &end
#
# 17 mln H93 5 C H2'' 2.67 3.59
&rst
ixpk= 0, nxpk= 0, iat= 585, 154, r1= 2.17, r2= 2.67, r3= 3.59, r4= 4.09, &end
#
# 17 mln H93 6 G H8 2.85 4.84
&rst
ixpk= 0, nxpk= 0, iat= 585, 170, r1= 2.35, r2= 2.85, r3= 4.84, r4= 5.34, &end
#
# 17 mln H93 17 mln M8 3.85 6.69
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 3.35, r2= 3.85, r3= 8.03, r4= 8.53,
igr2= 577, 578, 579,
&end
#
# 17 mln H93 17 mln H90 2.25 2.52
&rst
ixpk= 0, nxpk= 0, iat= 585, 582, r1= 1.75, r2= 2.25, r3= 2.52, r4= 3.02, &end
#
# 17 mln H93 17 mln H92 2.16 2.44
&rst
ixpk= 0, nxpk= 0, iat= 585, 584, r1= 1.66, r2= 2.16, r3= 2.44, r4= 2.94, &end
#
# 17 mln H96 3 C H1' 2.86 5.04
&rst
ixpk= 0, nxpk= 0, iat= 586, 74, r1= 2.36, r2= 2.86, r3= 5.04, r4= 5.54, &end
#
# 17 mln H96 3 C H2' 2.20 3.12
&rst
ixpk= 0, nxpk= 0, iat= 586, 90, r1= 1.70, r2= 2.20, r3= 3.12, r4= 3.62, &end
#
# 17 mln H96 3 C H2'' 2.56 3.75
&rst
ixpk= 0, nxpk= 0, iat= 586, 91, r1= 2.06, r2= 2.56, r3= 3.75, r4= 4.25, &end
#
# 17 mln H96 4 G H8 3.05 4.83
&rst
ixpk= 0, nxpk= 0, iat= 586, 107, r1= 2.55, r2= 3.05, r3= 4.83, r4= 5.33, &end
#
# 17 mln H96 17 mln H24 3.27 4.78
&rst
ixpk= 0, nxpk= 0, iat= 586, 528, r1= 2.77, r2= 3.27, r3= 4.78, r4= 5.28, &end
#
# 17 mln H96 17 mln H25 2.11 2.40
&rst
ixpk= 0, nxpk= 0, iat= 586, 529, r1= 1.61, r2= 2.11, r3= 2.40, r4= 2.90, &end
#
# 1 T H3 16 A N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 22, 495, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 T N3 16 A N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 21, 495, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 1 T O4 16 A H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 20, 493, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 2 A H61 15 T O4 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 50, 463, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 2 A N1 15 T H3 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 52, 465, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 2 A N1 15 T N3 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 52, 464, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 3 C H42 14 G O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 427, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 3 C N3 14 G H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 84, 429, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 3 C N3 14 G N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 84, 428, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 3 C N4 14 G O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 81, 427, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 3 C O2 14 G H22 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 86, 433, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 4 G H1 13 C N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 113, 400, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 4 G H22 13 C O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 117, 402, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 4 G N1 13 C N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 112, 400, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 4 G O6 13 C H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 111, 399, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 4 G O6 13 C N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 111, 397, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 5 C H42 12 G O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 364, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 5 C N3 12 G H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 147, 366, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 5 C N3 12 G N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 147, 365, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 5 C N4 12 G O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 144, 364, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 5 C O2 12 G H22 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 149, 370, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 6 G H1 11 C N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 176, 337, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 6 G H22 11 C O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 180, 339, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 6 G N1 11 C N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 175, 337, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 6 G O6 11 C H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 336, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 6 G O6 11 C N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 174, 334, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 7 T H3 10 A N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 212, 305, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 7 T N3 10 A N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 211, 305, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 7 T O4 10 A H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 210, 303, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 8 A H61 9 T O4 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 240, 273, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 8 A N1 9 T H3 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 242, 275, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 8 A N1 9 T N3 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 242, 274, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
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