0 mol 15 unq 0 iso 0 dist 6.42748 11.7498 7.48342 4.22652 6.31608 12.2746 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.48342 11.7498 6.42748 12.2746 6.31608 4.22652 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.70827 12.3067 9.12854 13.0224 8.67426 10.0711 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.12854 12.3067 8.70827 10.0711 8.67426 13.0224 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.4051 15.5315 7.29868 6.7846 7.85986 13.7992 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 7.29868 15.5315 8.4051 13.7992 7.85986 6.7846 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.4051 15.5315 7.29868 8.03955 4.30252 8.92779 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 7.29868 15.5315 8.4051 8.92779 4.30252 8.03955 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.4051 14.6259 8.60554 6.7846 7.85986 13.2846 numMergedOcc 0
9 mol 24 unq 3 iso 1 dist 8.60554 14.6259 8.4051 13.2846 7.85986 6.7846 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 8.4051 14.6259 8.60554 8.03955 4.30252 12.3897 numMergedOcc 0
11 mol 24 unq 4 iso 1 dist 8.60554 14.6259 8.4051 12.3897 4.30252 8.03955 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 7.29868 10.0952 8.60554 13.7992 7.85986 13.2846 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 8.60554 10.0952 7.29868 13.2846 7.85986 13.7992 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 7.29868 10.0952 8.60554 8.92779 4.30252 12.3897 numMergedOcc 0
15 mol 24 unq 4 iso 1 dist 8.60554 10.0952 7.29868 12.3897 4.30252 8.92779 numMergedOcc 0
16 mol 62 unq 0 iso 0 dist 7.56205 8.62608 4.74544 14.3608 8.21895 5.9487 numMergedOcc 0
17 mol 62 unq 0 iso 1 dist 4.74544 8.62608 7.56205 5.9487 8.21895 14.3608 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 5.9465 5.04493 6.97962 12.2908 6.89071 13.6054 numMergedOcc 0
19 mol 92 unq 0 iso 1 dist 6.97962 5.04493 5.9465 13.6054 6.89071 12.2908 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 5.9465 9.35561 9.95342 12.2908 6.89071 11.2746 numMergedOcc 0
21 mol 92 unq 1 iso 1 dist 9.95342 9.35561 5.9465 11.2746 6.89071 12.2908 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 6.97962 12.7769 9.95342 13.6054 6.89071 11.2746 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 9.95342 12.7769 6.97962 11.2746 6.89071 13.6054 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.78706 7.51619 7.23884 9.53244 7.54574 9.91282 numMergedOcc 0
25 mol 98 unq 0 iso 1 dist 7.23884 7.51619 5.78706 9.91282 7.54574 9.53244 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 5.78706 10.6225 5.59328 9.53244 7.54574 6.54016 numMergedOcc 0
27 mol 98 unq 1 iso 1 dist 5.59328 10.6225 5.78706 6.54016 7.54574 9.53244 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 5.78706 12.7411 7.5242 9.53244 7.54574 11.2206 numMergedOcc 0
29 mol 98 unq 2 iso 1 dist 7.5242 12.7411 5.78706 11.2206 7.54574 9.53244 numMergedOcc 0
30 mol 98 unq 1 iso 0 dist 7.23884 11.4338 5.59328 9.91282 7.54574 6.54016 numMergedOcc 0
31 mol 98 unq 1 iso 1 dist 5.59328 11.4338 7.23884 6.54016 7.54574 9.91282 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 7.23884 9.30161 7.5242 9.91282 7.54574 11.2206 numMergedOcc 0
33 mol 98 unq 2 iso 1 dist 7.5242 9.30161 7.23884 11.2206 7.54574 9.91282 numMergedOcc 0
34 mol 98 unq 2 iso 0 dist 5.59328 7.72877 7.5242 6.54016 7.54574 11.2206 numMergedOcc 0
35 mol 98 unq 2 iso 1 dist 7.5242 7.72877 5.59328 11.2206 7.54574 6.54016 numMergedOcc 0
36 mol 101 unq 0 iso 0 dist 6.98314 6.69637 7.61685 6.2696 9.44645 10.1773 numMergedOcc 0
37 mol 101 unq 0 iso 1 dist 7.61685 6.69637 6.98314 10.1773 9.44645 6.2696 numMergedOcc 0
38 mol 135 unq 0 iso 0 dist 5.62052 6.57193 7.85645 3.78012 8.72359 9.62654 numMergedOcc 0
39 mol 135 unq 0 iso 1 dist 7.85645 6.57193 5.62052 9.62654 8.72359 3.78012 numMergedOcc 0
40 mol 135 unq 1 iso 0 dist 5.62052 6.57193 7.85645 10.9403 7.02963 8.06169 numMergedOcc 0
41 mol 135 unq 1 iso 1 dist 7.85645 6.57193 5.62052 8.06169 7.02963 10.9403 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 9.97343 11.4307 9.70413 6.45283 9.38036 11.3136 numMergedOcc 0
43 mol 141 unq 0 iso 1 dist 9.70413 11.4307 9.97343 11.3136 9.38036 6.45283 numMergedOcc 0
44 mol 146 unq 0 iso 0 dist 8.84535 9.83507 8.82188 10.4935 5.95148 4.19745 numMergedOcc 0
45 mol 146 unq 0 iso 1 dist 8.82188 9.83507 8.84535 4.19745 5.95148 10.4935 numMergedOcc 0
46 mol 148 unq 0 iso 0 dist 9.91993 5.99954 9.99156 4.73245 9.17462 5.38701 numMergedOcc 0
47 mol 148 unq 0 iso 1 dist 9.99156 5.99954 9.91993 5.38701 9.17462 4.73245 numMergedOcc 0
48 mol 148 unq 1 iso 0 dist 9.91993 5.99954 9.99156 11.5545 8.74878 6.77599 numMergedOcc 0
49 mol 148 unq 1 iso 1 dist 9.99156 5.99954 9.91993 6.77599 8.74878 11.5545 numMergedOcc 0
50 mol 148 unq 2 iso 0 dist 6.22055 5.99954 8.18085 4.73245 5.75959 5.38701 numMergedOcc 0
51 mol 148 unq 2 iso 1 dist 8.18085 5.99954 6.22055 5.38701 5.75959 4.73245 numMergedOcc 0
52 mol 150 unq 0 iso 0 dist 9.96691 5.93095 9.8656 4.73768 9.01668 5.46333 numMergedOcc 0
53 mol 150 unq 0 iso 1 dist 9.8656 5.93095 9.96691 5.46333 9.01668 4.73768 numMergedOcc 0
54 mol 150 unq 1 iso 0 dist 9.96691 5.93095 9.8656 11.5728 8.74018 6.74495 numMergedOcc 0
55 mol 150 unq 1 iso 1 dist 9.8656 5.93095 9.96691 6.74495 8.74018 11.5728 numMergedOcc 0
56 mol 150 unq 2 iso 0 dist 6.14675 5.93095 7.94889 4.73768 5.4798 5.46333 numMergedOcc 0
57 mol 150 unq 2 iso 1 dist 7.94889 5.93095 6.14675 5.46333 5.4798 4.73768 numMergedOcc 0
58 mol 196 unq 0 iso 0 dist 6.70531 10.2747 6.86319 5.93821 6.14222 12.4987 numMergedOcc 0
59 mol 196 unq 0 iso 1 dist 6.86319 10.2747 6.70531 12.4987 6.14222 5.93821 numMergedOcc 0
60 mol 206 unq 0 iso 0 dist 6.16414 5.63422 7.75885 4.46135 7.9416 3.56132 numMergedOcc 0
61 mol 206 unq 0 iso 1 dist 7.75885 5.63422 6.16414 3.56132 7.9416 4.46135 numMergedOcc 0
62 mol 213 unq 0 iso 0 dist 7.73322 5.45334 8.14332 4.67313 8.59946 7.49785 numMergedOcc 0
63 mol 213 unq 0 iso 1 dist 8.14332 5.45334 7.73322 7.49785 8.59946 4.67313 numMergedOcc 0
64 mol 232 unq 0 iso 0 dist 8.50102 6.56633 9.40808 6.95968 9.78273 4.04428 numMergedOcc 0
65 mol 232 unq 0 iso 1 dist 9.40808 6.56633 8.50102 4.04428 9.78273 6.95968 numMergedOcc 0
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67 mol 235 unq 0 iso 1 dist 6.21292 8.31875 6.36341 10.28 7.26232 4.67058 numMergedOcc 0
68 mol 235 unq 1 iso 0 dist 6.36341 10.5547 9.21736 4.67058 7.26232 13.783 numMergedOcc 0
69 mol 235 unq 1 iso 1 dist 9.21736 10.5547 6.36341 13.783 7.26232 4.67058 numMergedOcc 0
70 mol 235 unq 1 iso 0 dist 6.21292 4.53064 9.21736 10.28 7.26232 13.783 numMergedOcc 0
71 mol 235 unq 1 iso 1 dist 9.21736 4.53064 6.21292 13.783 7.26232 10.28 numMergedOcc 0
72 mol 249 unq 0 iso 0 dist 5.48118 5.3927 7.25858 10.3504 8.76518 10.9925 numMergedOcc 0
73 mol 249 unq 0 iso 1 dist 7.25858 5.3927 5.48118 10.9925 8.76518 10.3504 numMergedOcc 0
74 mol 258 unq 0 iso 0 dist 9.63959 12.4198 9.96262 4.83605 9.36974 8.21389 numMergedOcc 0
75 mol 258 unq 0 iso 1 dist 9.96262 12.4198 9.63959 8.21389 9.36974 4.83605 numMergedOcc 0
76 mol 258 unq 1 iso 0 dist 9.63959 12.321 7.21311 4.83605 9.36974 11.9728 numMergedOcc 0
77 mol 258 unq 1 iso 1 dist 7.21311 12.321 9.63959 11.9728 9.36974 4.83605 numMergedOcc 0
78 mol 258 unq 1 iso 0 dist 9.96262 10.7374 7.21311 8.21389 9.36974 11.9728 numMergedOcc 0
79 mol 258 unq 1 iso 1 dist 7.21311 10.7374 9.96262 11.9728 9.36974 8.21389 numMergedOcc 0
80 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 9.32873 9.81919 5.04315 numMergedOcc 0
81 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 5.04315 9.81919 9.32873 numMergedOcc 0
82 mol 274 unq 0 iso 0 dist 8.52587 11.3308 6.39866 12.5154 8.09181 4.60007 numMergedOcc 0
83 mol 274 unq 0 iso 1 dist 6.39866 11.3308 8.52587 4.60007 8.09181 12.5154 numMergedOcc 0
84 mol 278 unq 0 iso 0 dist 8.00673 8.29447 6.62841 13.7796 8.1769 9.26354 numMergedOcc 0
85 mol 278 unq 0 iso 1 dist 6.62841 8.29447 8.00673 9.26354 8.1769 13.7796 numMergedOcc 0
86 mol 278 unq 1 iso 0 dist 8.00673 8.29447 6.62841 10.2359 7.1656 5.33325 numMergedOcc 0
87 mol 278 unq 1 iso 1 dist 6.62841 8.29447 8.00673 5.33325 7.1656 10.2359 numMergedOcc 0
88 mol 287 unq 0 iso 0 dist 8.91712 10.9208 9.65934 13.2948 9.25759 3.65199 numMergedOcc 0
89 mol 287 unq 0 iso 1 dist 9.65934 10.9208 8.91712 3.65199 9.25759 13.2948 numMergedOcc 0
90 mol 288 unq 0 iso 0 dist 8.91712 10.9208 9.65934 13.2948 9.25759 3.65199 numMergedOcc 0
91 mol 288 unq 0 iso 1 dist 9.65934 10.9208 8.91712 3.65199 9.25759 13.2948 numMergedOcc 0
92 mol 289 unq 0 iso 0 dist 8.91712 10.9208 9.65934 13.2948 9.25759 3.65199 numMergedOcc 0
93 mol 289 unq 0 iso 1 dist 9.65934 10.9208 8.91712 3.65199 9.25759 13.2948 numMergedOcc 0
