0 mol 8 unq 0 iso 0 dist 7.46102 8.16743 4.85329 8.25051 8.96553 10.2611 9.91301 8.4069 12.9498 9.62879 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.91301 8.16743 12.9498 8.25051 9.62879 10.2611 7.46102 8.4069 4.85329 8.96553 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.36377 9.05346 6.2983 5.48395 6.31718 5.47769 12.9591 10.8455 5.94084 7.63133 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.05508 8.17564 14.134 5.34079 6.85766 12.4738 12.5028 10.0246 20.1572 7.71095 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 7.7978 8.68726 6.7583 6.8958 7.17396 12.4686 10.3954 6.05545 10.2751 9.21998 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.72689 6.98838 5.90098 13.7794 9.36773 9.15979 11.4004 5.57085 4.58465 8.31336 numMergedOcc 0
6 mol 88 unq 1 iso 0 dist 7.74197 5.82918 6.95868 4.0486 9.36773 9.2603 7.86537 5.57085 6.97239 8.31336 numMergedOcc 0
7 mol 88 unq 2 iso 0 dist 7.86537 5.82918 6.97239 4.0486 8.31336 9.2603 7.74197 5.57085 6.95868 9.36773 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 6.90827 9.58171 4.91401 10.4485 7.90328 6.62561 18.7881 13.1058 11.3679 9.84395 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 6.7973 9.89699 10.2071 5.01118 6.23493 13.8535 10.6879 5.71071 15.3287 7.46303 numMergedOcc 0
10 mol 155 unq 1 iso 0 dist 6.7973 9.16944 4.9093 5.01118 6.23493 9.17284 10.6879 5.71071 6.3437 7.46303 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 7.85877 7.35476 12.2813 4.82768 7.21333 6.82208 10.8522 13.3522 4.8892 8.01589 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 7.85877 7.35476 12.2813 4.82768 7.21333 6.82208 10.0664 5.24516 11.0074 7.7699 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 9.07872 8.82471 16.8875 9.9474 7.09863 15.2609 11.3366 4.39704 17.5086 7.22101 numMergedOcc 0
14 mol 234 unq 0 iso 0 dist 7.86368 7.24774 7.50943 12.0816 9.45496 16.1247 12.3151 5.88703 13.1273 6.56247 numMergedOcc 0
15 mol 234 unq 1 iso 0 dist 7.86368 7.24774 7.50943 6.94762 6.7625 11.1284 12.3151 5.88703 13.1273 9.36357 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 5.66569 6.98151 6.04825 11.2013 9.99038 7.17676 12.3675 9.90963 11.8759 8.03456 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 5.66569 6.98151 6.04825 11.2013 9.99038 7.17676 11.0771 11.3368 11.3552 6.84306 numMergedOcc 0
18 mol 236 unq 2 iso 0 dist 5.66569 6.98151 6.04825 11.2013 9.99038 7.17676 15.7385 11.1557 12.6468 9.78037 numMergedOcc 0
19 mol 236 unq 3 iso 0 dist 5.66569 6.98151 6.04825 11.2013 9.99038 7.17676 13.3367 10.7497 6.40312 8.35971 numMergedOcc 0
20 mol 236 unq 4 iso 0 dist 5.66569 6.98151 6.04825 4.15973 6.27581 5.34718 12.3675 9.90963 11.8759 9.81562 numMergedOcc 0
21 mol 236 unq 5 iso 0 dist 5.66569 6.98151 6.04825 4.15973 6.27581 5.34718 11.0771 11.3368 11.3552 7.68742 numMergedOcc 0
