0 mol 15 unq 0 iso 0 dist 5.94245 5.85257 6.50647 13.7683 9.75966 9.29358 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 9.60864 8.65083 7.21995 13.5889 8.26635 6.99408 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 9.60864 8.65083 7.21995 12.5173 5.05051 9.3403 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.54052 6.2425 6.30987 6.13476 4.29856 5.02241 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.2958 6.55474 7.03226 9.58389 4.85247 6.21982 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 9.2958 6.55474 7.03226 7.63534 6.45686 8.19682 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 6.34031 9.46418 7.09065 12.4452 9.36726 9.39469 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 6.34031 9.46418 7.09065 11.9049 7.16919 4.76815 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.19273 5.26498 7.52142 5.22628 6.40494 7.64585 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 6.07708 9.00192 6.64779 10.6341 4.72839 7.93331 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 6.07708 9.00192 6.64779 13.4919 8.07089 6.98095 numMergedOcc 0
11 mol 173 unq 2 iso 0 dist 6.07708 9.00192 6.64779 9.09857 5.70743 8.31897 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.70622 10.2331 8.99988 13.9833 6.77832 9.52634 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 8.70622 6.77092 6.99693 14.9052 14.7282 9.8589 numMergedOcc 0
14 mol 175 unq 2 iso 0 dist 8.70622 6.77092 6.99693 10.2595 9.30597 7.24908 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.83185 12.188 7.05653 12.074 7.77758 4.93785 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 9.0234 4.56814 7.05653 6.43406 7.77758 4.93785 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 9.33455 12.2893 7.43663 4.91961 10.0059 9.5707 numMergedOcc 0
18 mol 234 unq 1 iso 0 dist 9.33455 10.3017 7.94068 7.14333 5.08515 9.39181 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 9.22128 10.584 7.95766 11.1531 7.60081 8.21247 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 6.62283 9.28896 8.90076 10.5699 12.2874 8.14172 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 6.62283 9.28896 8.90076 6.51823 10.4017 6.77463 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 6.62283 6.04481 8.09718 10.9573 10.7081 6.05141 numMergedOcc 0
23 mol 238 unq 3 iso 0 dist 6.62283 6.04481 8.09718 10.5699 12.2874 8.09066 numMergedOcc 0
24 mol 238 unq 4 iso 0 dist 6.62283 6.04481 8.09718 6.51823 10.4017 7.2766 numMergedOcc 0
25 mol 238 unq 5 iso 0 dist 8.60978 9.28896 6.62002 10.5699 7.11984 8.14172 numMergedOcc 0
26 mol 238 unq 6 iso 0 dist 8.60978 9.28896 6.62002 6.51823 7.95232 6.77463 numMergedOcc 0
27 mol 238 unq 7 iso 0 dist 8.60978 6.04481 6.73446 10.9573 5.50308 6.05141 numMergedOcc 0
28 mol 238 unq 8 iso 0 dist 8.60978 6.04481 6.73446 10.5699 7.11984 8.09066 numMergedOcc 0
29 mol 238 unq 9 iso 0 dist 8.60978 6.04481 6.73446 6.51823 7.95232 7.2766 numMergedOcc 0
30 mol 241 unq 0 iso 0 dist 9.36895 8.28913 8.00537 6.97756 4.90279 6.83797 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 8.73597 15.5534 7.48269 12.5837 5.28793 5.24676 numMergedOcc 0
32 mol 256 unq 1 iso 0 dist 8.73597 15.5534 7.48269 18.5626 10.134 8.09363 numMergedOcc 0
33 mol 256 unq 2 iso 0 dist 7.32198 12.6295 7.48269 10.215 5.28793 5.24676 numMergedOcc 0
34 mol 256 unq 3 iso 0 dist 7.32198 12.6295 7.48269 17.3193 10.134 8.09363 numMergedOcc 0
35 mol 282 unq 0 iso 0 dist 9.88071 7.00729 6.8972 10.5849 7.80785 6.85028 numMergedOcc 0
36 mol 282 unq 1 iso 0 dist 9.88071 7.00729 6.8972 7.12228 6.6348 7.32347 numMergedOcc 0
37 mol 282 unq 2 iso 0 dist 9.88071 7.00729 6.8972 14.3073 6.3458 8.3411 numMergedOcc 0
