0 mol 44 unq 0 iso 0 dist 7.31362 7.16036 5.68567 9.5746 14.2438 9.6782 9.52676 9.67352 4.55437 7.48846 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 8.56547 7.47827 7.45926 3.98211 7.42828 9.30539 7.74952 9.18905 4.57085 8.66165 numMergedOcc 0
2 mol 91 unq 1 iso 0 dist 5.23177 7.47827 5.55005 3.98211 5.98441 9.30539 7.74952 8.00102 4.57085 8.66165 numMergedOcc 0
3 mol 91 unq 2 iso 0 dist 6.77052 7.47827 9.57561 3.98211 5.45873 9.30539 7.74952 11.1564 4.57085 8.66165 numMergedOcc 0
4 mol 91 unq 3 iso 0 dist 9.23907 7.28711 5.27581 9.98867 4.86532 5.73743 14.8979 5.75219 10.1024 8.66165 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 6.24872 10.4714 7.73435 8.6317 11.2575 9.20086 6.11502 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 9.06392 8.38646 16.5045 10.4668 13.2906 9.3778 8.6317 11.2575 9.20086 6.33431 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.65424 9.75558 10.28 9.62363 15.8362 9.97343 15.971 19.4713 9.74444 9.10042 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 7.65424 9.75558 10.28 9.62363 15.8362 9.97343 14.9122 17.0891 6.91919 9.75059 numMergedOcc 0
9 mol 141 unq 2 iso 0 dist 7.65424 9.75558 10.28 9.62363 15.8362 9.97343 9.78937 14.3041 10.1432 6.83404 numMergedOcc 0
10 mol 141 unq 3 iso 0 dist 6.71654 9.75558 6.23566 9.62363 11.5392 9.97343 15.971 13.6386 9.74444 9.10042 numMergedOcc 0
11 mol 141 unq 4 iso 0 dist 6.71654 9.75558 6.23566 9.62363 11.5392 9.97343 14.9122 12.4427 6.91919 9.75059 numMergedOcc 0
12 mol 141 unq 5 iso 0 dist 6.71654 9.75558 6.23566 9.62363 11.5392 9.97343 9.78937 12.9359 10.1432 6.83404 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 5.76622 11.3948 8.77999 7.27051 13.0014 12.717 6.60053 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 9.44978 9.05666 4.94984 5.76622 11.3948 8.77999 7.35424 14.1703 14.8459 9.36796 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.24101 7.2527 10.2134 10.0651 8.60978 8.69104 9.52775 12.1252 8.1195 5.92374 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 8.84212 6.42827 12.6924 5.74889 12.7606 5.48118 11.08 15.477 9.0676 5.9627 numMergedOcc 0
17 mol 249 unq 1 iso 0 dist 7.10933 6.42827 8.71871 5.74889 6.7282 5.48118 11.08 7.64577 9.0676 5.9627 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.26294 7.28096 11.2095 12.4113 16.7719 6.89451 14.9646 17.1604 7.83813 6.95912 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.26294 7.28096 11.2095 12.4113 16.7719 6.89451 14.9646 17.1604 7.83813 6.95912 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.26294 7.28096 11.2095 12.4113 16.7719 6.89451 14.9646 17.1604 7.83813 6.95912 numMergedOcc 0
