0 mol 44 unq 0 iso 0 dist 7.85573 6.10468 6.21423 14.3784 9.73924 10.8376 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 6.21423 6.10468 7.85573 10.8376 9.73924 14.3784 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.87177 11.1443 6.70925 16.6454 9.7596 6.94858 numMergedOcc 0
3 mol 73 unq 0 iso 1 dist 6.70925 11.1443 9.87177 6.94858 9.7596 16.6454 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.87177 15.9639 8.95756 16.6454 9.7596 4.24944 numMergedOcc 0
5 mol 73 unq 1 iso 1 dist 8.95756 15.9639 9.87177 4.24944 9.7596 16.6454 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.70925 5.04503 8.95756 6.94858 9.7596 4.24944 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 8.95756 5.04503 6.70925 4.24944 9.7596 6.94858 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.31624 3.85496 5.68726 13.9324 9.62026 12.9392 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 5.68726 3.85496 8.31624 12.9392 9.62026 13.9324 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.31624 10.1335 7.46882 13.9324 9.62026 9.77115 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 7.46882 10.1335 8.31624 9.77115 9.62026 13.9324 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 5.68726 7.44316 7.46882 12.9392 9.62026 9.77115 numMergedOcc 0
13 mol 73 unq 3 iso 1 dist 7.46882 7.44316 5.68726 9.77115 9.62026 12.9392 numMergedOcc 0
14 mol 139 unq 0 iso 0 dist 9.99665 7.6075 8.27507 8.43946 8.66615 4.19005 numMergedOcc 0
15 mol 139 unq 0 iso 1 dist 8.27507 7.6075 9.99665 4.19005 8.66615 8.43946 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 5.83335 3.75614 7.86724 8.4495 9.51612 5.86369 numMergedOcc 0
17 mol 183 unq 0 iso 1 dist 7.86724 3.75614 5.83335 5.86369 9.51612 8.4495 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 5.83335 3.75614 7.86724 3.94874 5.89091 4.44329 numMergedOcc 0
19 mol 183 unq 1 iso 1 dist 7.86724 3.75614 5.83335 4.44329 5.89091 3.94874 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 9.89207 3.98055 9.0153 11.1426 6.77515 10.6976 numMergedOcc 0
21 mol 195 unq 0 iso 1 dist 9.0153 3.98055 9.89207 10.6976 6.77515 11.1426 numMergedOcc 0
22 mol 197 unq 0 iso 0 dist 6.50727 5.3979 7.84826 13.1844 9.95181 14.3934 numMergedOcc 0
23 mol 197 unq 0 iso 1 dist 7.84826 5.3979 6.50727 14.3934 9.95181 13.1844 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 7.99525 4.19978 9.20965 6.71409 8.50304 8.37849 numMergedOcc 0
25 mol 232 unq 0 iso 1 dist 9.20965 4.19978 7.99525 8.37849 8.50304 6.71409 numMergedOcc 0
26 mol 232 unq 1 iso 0 dist 6.11539 9.60695 9.71082 6.12224 9.57701 11.9357 numMergedOcc 0
27 mol 232 unq 1 iso 1 dist 9.71082 9.60695 6.11539 11.9357 9.57701 6.12224 numMergedOcc 0
28 mol 232 unq 2 iso 0 dist 6.11539 9.60695 9.71082 13.6675 9.6048 19.1288 numMergedOcc 0
29 mol 232 unq 2 iso 1 dist 9.71082 9.60695 6.11539 19.1288 9.6048 13.6675 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 8.89116 6.73236 8.28364 5.58254 7.20531 10.2776 numMergedOcc 0
31 mol 243 unq 0 iso 1 dist 8.28364 6.73236 8.89116 10.2776 7.20531 5.58254 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 7.97113 5.25523 8.38479 4.95084 9.06386 6.85606 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 8.38479 5.25523 7.97113 6.85606 9.06386 4.95084 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 5.22111 5.25523 8.53598 4.95084 6.66413 6.85606 numMergedOcc 0
35 mol 259 unq 1 iso 1 dist 8.53598 5.25523 5.22111 6.85606 6.66413 4.95084 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 9.33447 6.47501 3.90274 5.40771 8.67354 6.99177 numMergedOcc 0
37 mol 266 unq 0 iso 1 dist 3.90274 6.47501 9.33447 6.99177 8.67354 5.40771 numMergedOcc 0
38 mol 280 unq 0 iso 0 dist 7.10723 9.41086 6.8664 13.4787 9.93207 4.18107 numMergedOcc 0
39 mol 280 unq 0 iso 1 dist 6.8664 9.41086 7.10723 4.18107 9.93207 13.4787 numMergedOcc 0
40 mol 283 unq 0 iso 0 dist 8.80555 10.8201 8.80418 6.50939 8.63928 4.89148 numMergedOcc 0
41 mol 283 unq 0 iso 1 dist 8.80418 10.8201 8.80555 4.89148 8.63928 6.50939 numMergedOcc 0
