0 mol 83 unq 0 iso 0 dist 7.34329 8.82069 4.64757 10.9416 12.0556 9.97781 numMergedOcc 0
1 mol 83 unq 1 iso 0 dist 9.52645 7.03997 4.64757 4.89289 12.0556 9.97781 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.91249 9.92781 7.06961 14.5779 12.3884 5.94696 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 7.94919 6.56349 7.06961 9.30319 12.3884 5.94696 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 6.70974 8.26447 10.1816 10.2688 15.1632 9.66068 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 6.70974 6.71684 8.42718 10.2613 10.783 5.37302 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 6.70974 6.71684 8.42718 10.2688 15.1632 8.03783 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 6.70974 6.71684 8.42718 4.55686 11.0486 8.47541 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 6.68587 8.13828 8.2619 7.66137 7.04864 8.73484 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.47457 6.20073 5.81428 11.7216 9.60921 6.16862 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.47457 6.20073 5.81428 14.7091 12.4731 9.70325 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.79566 6.20073 6.69695 11.7216 10.1353 6.16862 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 8.79566 6.20073 6.69695 14.7091 13.4865 9.70325 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 6.46256 8.17453 6.92956 15.237 15.1417 8.90876 numMergedOcc 0
14 mol 169 unq 0 iso 0 dist 6.67261 7.05602 8.6888 10.699 11.0485 5.51388 numMergedOcc 0
15 mol 169 unq 1 iso 0 dist 6.67261 7.05602 8.6888 10.8694 15.4585 8.17917 numMergedOcc 0
16 mol 169 unq 2 iso 0 dist 6.67261 7.05602 8.6888 4.73558 10.908 8.68909 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 7.62761 8.56593 5.00209 6.08753 8.19504 9.3201 numMergedOcc 0
18 mol 267 unq 0 iso 0 dist 9.1753 6.83507 9.14203 13.3316 14.5482 9.80577 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 9.54195 8.14068 10.8141 10.7155 16.7457 6.38341 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 6.35853 8.14068 4.60101 10.7155 10.1523 6.38341 numMergedOcc 0
21 mol 273 unq 2 iso 0 dist 7.67515 8.14068 12.2502 10.7155 16.0515 6.38341 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 8.45131 5.72538 13.2859 3.81488 7.26542 8.42076 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 8.45131 5.72538 13.2859 3.81488 7.26542 8.42076 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.45131 5.72538 13.2859 3.81488 7.26542 8.42076 numMergedOcc 0
