0 mol 54 unq 0 iso 0 dist 6.13476 6.54052 4.29856 6.2425 5.02241 6.30987 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.63534 9.2958 6.45686 6.55474 8.19682 7.03226 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 5.22628 9.19273 6.40494 5.26498 7.64585 7.52142 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 8.94909 9.68996 17.3514 12.7763 16.3407 8.97945 numMergedOcc 0
4 mol 173 unq 0 iso 0 dist 9.09857 6.07708 5.70743 9.00192 8.31897 6.64779 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 6.43406 9.0234 7.77758 4.56814 4.93785 7.05653 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 8.84116 7.77211 11.7409 4.32025 13.1166 8.97471 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 8.16369 7.77211 14.8119 4.32025 11.5074 8.97471 numMergedOcc 0
8 mol 234 unq 0 iso 0 dist 4.91961 9.33455 10.0059 12.2893 9.5707 7.43663 numMergedOcc 0
9 mol 234 unq 1 iso 0 dist 4.91961 9.33455 10.0059 10.3017 10.475 7.94068 numMergedOcc 0
10 mol 234 unq 2 iso 0 dist 7.14333 9.33455 5.08515 12.2893 11.8897 7.43663 numMergedOcc 0
11 mol 234 unq 3 iso 0 dist 7.14333 9.33455 5.08515 10.3017 9.39181 7.94068 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 6.51823 6.62283 10.4017 9.28896 6.77463 8.90076 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 6.51823 6.62283 10.4017 4.40826 9.93432 6.87131 numMergedOcc 0
14 mol 238 unq 2 iso 0 dist 6.51823 6.62283 10.4017 6.04481 7.2766 8.09718 numMergedOcc 0
15 mol 238 unq 3 iso 0 dist 6.51823 8.60978 7.95232 9.28896 6.77463 6.62002 numMergedOcc 0
16 mol 238 unq 4 iso 0 dist 6.51823 8.60978 7.95232 4.40826 9.93432 9.69818 numMergedOcc 0
17 mol 238 unq 5 iso 0 dist 6.51823 8.60978 7.95232 6.04481 7.2766 6.73446 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 6.97756 9.36895 4.90279 8.28913 6.83797 8.00537 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 9.30751 9.62872 7.89642 14.7578 11.4788 7.48235 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 8.88567 7.18775 6.19336 10.2197 11.1057 5.80452 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 8.88567 7.18775 6.19336 5.90982 12.5207 7.82157 numMergedOcc 0
22 mol 280 unq 2 iso 0 dist 8.88567 9.9394 13.0704 5.90982 12.5207 9.18069 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 7.34596 9.88071 8.2662 7.00729 10.4802 6.8972 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 7.12228 9.88071 6.6348 7.00729 7.32347 6.8972 numMergedOcc 0
