0 mol 8 unq 0 iso 0 dist 7.45487 7.07501 7.18019 13.9525 10.9495 7.03958 9.49106 8.4069 8.53529 12.4076 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 7.45487 7.07501 7.18019 9.49106 8.4069 8.53529 13.9525 10.9495 7.03958 12.4076 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 7.45487 7.07501 7.18019 13.9525 10.9495 7.03958 11.9557 6.23795 8.44009 8.09332 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 7.45487 7.07501 7.18019 11.9557 6.23795 8.44009 13.9525 10.9495 7.03958 8.09332 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 7.45487 7.07501 7.18019 9.49106 8.4069 8.53529 11.9557 6.23795 8.44009 12.9016 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 7.45487 7.07501 7.18019 11.9557 6.23795 8.44009 9.49106 8.4069 8.53529 12.9016 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 22.8598 14.6259 8.4051 10.6042 10.0952 7.29868 15.5315 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 9.90845 14.9821 8.60554 10.6042 10.0952 7.29868 22.8598 14.6259 8.4051 15.5315 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.84983 6.64072 5.93884 12.9335 5.30792 9.92355 9.56737 4.81926 7.68678 5.35073 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 7.84983 6.64072 5.93884 9.56737 4.81926 7.68678 12.9335 5.30792 9.92355 5.35073 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 9.56737 6.64072 7.68678 12.9335 5.35073 9.92355 7.84983 4.81926 5.93884 5.30792 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 9.56737 6.64072 7.68678 7.84983 4.81926 5.93884 12.9335 5.35073 9.92355 5.30792 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.86724 5.97684 5.9465 10.6665 5.04493 6.97962 12.4378 9.35561 9.95342 12.7769 numMergedOcc 0
13 mol 92 unq 0 iso 1 dist 7.86724 5.97684 5.9465 12.4378 9.35561 9.95342 10.6665 5.04493 6.97962 12.7769 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.59261 5.24592 5.78706 11.7102 7.51619 7.23884 6.67936 10.6225 5.59328 11.4338 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 9.59261 5.24592 5.78706 6.67936 10.6225 5.59328 11.7102 7.51619 7.23884 11.4338 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 9.59261 5.24592 5.78706 11.7102 7.51619 7.23884 8.25817 12.7411 7.5242 9.30161 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 9.59261 5.24592 5.78706 8.25817 12.7411 7.5242 11.7102 7.51619 7.23884 9.30161 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 9.59261 5.24592 5.78706 6.67936 10.6225 5.59328 8.25817 12.7411 7.5242 7.72877 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 9.59261 5.24592 5.78706 8.25817 12.7411 7.5242 6.67936 10.6225 5.59328 7.72877 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 6.67936 5.24592 5.59328 9.59261 10.6225 5.78706 11.7102 11.4338 7.23884 7.51619 numMergedOcc 0
21 mol 98 unq 2 iso 1 dist 6.67936 5.24592 5.59328 11.7102 11.4338 7.23884 9.59261 10.6225 5.78706 7.51619 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 6.67936 5.24592 5.59328 9.59261 10.6225 5.78706 8.25817 7.72877 7.5242 12.7411 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 6.67936 5.24592 5.59328 8.25817 7.72877 7.5242 9.59261 10.6225 5.78706 12.7411 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 6.67936 5.24592 5.59328 11.7102 11.4338 7.23884 8.25817 7.72877 7.5242 9.30161 numMergedOcc 0
25 mol 98 unq 3 iso 1 dist 6.67936 5.24592 5.59328 8.25817 7.72877 7.5242 11.7102 11.4338 7.23884 9.30161 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 8.25817 5.24592 7.5242 9.59261 12.7411 5.78706 11.7102 9.30161 7.23884 7.51619 numMergedOcc 0
27 mol 98 unq 4 iso 1 dist 8.25817 5.24592 7.5242 11.7102 9.30161 7.23884 9.59261 12.7411 5.78706 7.51619 numMergedOcc 0
28 mol 98 unq 5 iso 0 dist 8.25817 5.24592 7.5242 9.59261 12.7411 5.78706 6.67936 7.72877 5.59328 10.6225 numMergedOcc 0
29 mol 98 unq 5 iso 1 dist 8.25817 5.24592 7.5242 6.67936 7.72877 5.59328 9.59261 12.7411 5.78706 10.6225 numMergedOcc 0
30 mol 98 unq 5 iso 0 dist 8.25817 5.24592 7.5242 11.7102 9.30161 7.23884 6.67936 7.72877 5.59328 11.4338 numMergedOcc 0
31 mol 98 unq 5 iso 1 dist 8.25817 5.24592 7.5242 6.67936 7.72877 5.59328 11.7102 9.30161 7.23884 11.4338 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 6.7225 6.39438 6.92026 10.2695 6.5838 5.88249 13.1517 10.5564 6.97707 5.67807 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 6.7225 6.39438 6.92026 13.1517 10.5564 6.97707 10.2695 6.5838 5.88249 5.67807 numMergedOcc 0
34 mol 125 unq 0 iso 0 dist 8.84867 14.8614 9.3778 13.8831 5.20403 9.08382 19.5018 11.8325 7.47069 9.34412 numMergedOcc 0
35 mol 125 unq 0 iso 1 dist 8.84867 14.8614 9.3778 19.5018 11.8325 7.47069 13.8831 5.20403 9.08382 9.34412 numMergedOcc 0
36 mol 130 unq 0 iso 0 dist 8.54461 7.91054 8.78276 11.3273 4.5207 7.88805 7.83619 8.38345 7.96646 10.0969 numMergedOcc 0
37 mol 130 unq 0 iso 1 dist 8.54461 7.91054 8.78276 7.83619 8.38345 7.96646 11.3273 4.5207 7.88805 10.0969 numMergedOcc 0
38 mol 130 unq 1 iso 0 dist 8.54461 7.91054 8.78276 11.3273 4.5207 7.88805 14.6047 10.5137 7.90048 7.01619 numMergedOcc 0
39 mol 130 unq 1 iso 1 dist 8.54461 7.91054 8.78276 14.6047 10.5137 7.90048 11.3273 4.5207 7.88805 7.01619 numMergedOcc 0
40 mol 130 unq 1 iso 0 dist 8.54461 7.91054 8.78276 7.83619 8.38345 7.96646 14.6047 10.5137 7.90048 10.7116 numMergedOcc 0
41 mol 130 unq 1 iso 1 dist 8.54461 7.91054 8.78276 14.6047 10.5137 7.90048 7.83619 8.38345 7.96646 10.7116 numMergedOcc 0
42 mol 130 unq 2 iso 0 dist 7.83619 7.91054 7.96646 8.54461 8.38345 8.78276 11.3273 10.0969 7.88805 4.5207 numMergedOcc 0
43 mol 130 unq 2 iso 1 dist 7.83619 7.91054 7.96646 11.3273 10.0969 7.88805 8.54461 8.38345 8.78276 4.5207 numMergedOcc 0
44 mol 130 unq 3 iso 0 dist 7.83619 7.91054 7.96646 8.54461 8.38345 8.78276 14.6047 10.7116 7.90048 10.5137 numMergedOcc 0
45 mol 130 unq 3 iso 1 dist 7.83619 7.91054 7.96646 14.6047 10.7116 7.90048 8.54461 8.38345 8.78276 10.5137 numMergedOcc 0
46 mol 130 unq 3 iso 0 dist 7.83619 7.91054 7.96646 11.3273 10.0969 7.88805 14.6047 10.7116 7.90048 7.01619 numMergedOcc 0
47 mol 130 unq 3 iso 1 dist 7.83619 7.91054 7.96646 14.6047 10.7116 7.90048 11.3273 10.0969 7.88805 7.01619 numMergedOcc 0
48 mol 130 unq 4 iso 0 dist 9.91643 11.6197 7.96646 17.231 8.38345 8.78276 16.8947 10.0969 7.88805 4.5207 numMergedOcc 0
49 mol 130 unq 4 iso 1 dist 9.91643 11.6197 7.96646 16.8947 10.0969 7.88805 17.231 8.38345 8.78276 4.5207 numMergedOcc 0
50 mol 130 unq 5 iso 0 dist 9.91643 11.6197 7.96646 17.231 8.38345 8.78276 12.9219 10.7116 7.90048 10.5137 numMergedOcc 0
51 mol 130 unq 5 iso 1 dist 9.91643 11.6197 7.96646 12.9219 10.7116 7.90048 17.231 8.38345 8.78276 10.5137 numMergedOcc 0
52 mol 130 unq 5 iso 0 dist 9.91643 11.6197 7.96646 16.8947 10.0969 7.88805 12.9219 10.7116 7.90048 7.01619 numMergedOcc 0
53 mol 130 unq 5 iso 1 dist 9.91643 11.6197 7.96646 12.9219 10.7116 7.90048 16.8947 10.0969 7.88805 7.01619 numMergedOcc 0
54 mol 133 unq 0 iso 0 dist 9.48243 11.7748 9.97654 11.0972 6.69554 6.66772 14.1743 6.761 7.71248 7.6656 numMergedOcc 0
55 mol 133 unq 0 iso 1 dist 9.48243 11.7748 9.97654 14.1743 6.761 7.71248 11.0972 6.69554 6.66772 7.6656 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 10.7398 8.31875 6.21292 11.491 10.5547 9.21736 4.53064 numMergedOcc 0
57 mol 235 unq 0 iso 1 dist 9.71281 6.18998 6.36341 11.491 10.5547 9.21736 10.7398 8.31875 6.21292 4.53064 numMergedOcc 0
58 mol 258 unq 0 iso 0 dist 6.09782 8.01004 9.63959 15.1009 12.4198 9.96262 12.9664 12.321 7.21311 10.7374 numMergedOcc 0
59 mol 258 unq 0 iso 1 dist 6.09782 8.01004 9.63959 12.9664 12.321 7.21311 15.1009 12.4198 9.96262 10.7374 numMergedOcc 0
