0 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 8.60554 6.99746 5.80953 14.012 11.5841 10.0453 6.72323 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.69955 8.25132 6.73167 10.177 5.30297 6.07276 14.3641 10.9962 10.1622 6.93197 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.6385 7.73394 6.73167 7.36856 5.30297 6.07276 5.81765 10.9962 10.1622 6.93197 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 8.44506 7.11305 6.38243 11.9684 5.66783 6.81793 10.9837 9.5053 4.76998 6.56527 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.81831 16.1023 7.8435 24.4789 15.8624 9.19977 24.9756 18.8493 11.7638 8.74378 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 9.81831 16.1023 7.8435 23.3751 14.7862 7.28831 24.9756 18.8493 11.7638 8.89417 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 9.81831 16.1023 7.8435 23.3751 14.7862 7.28831 16.0645 10.998 5.93472 9.95255 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 9.12858 12.4934 7.8435 20.2792 15.8624 9.19977 19.3362 18.8493 11.7638 8.74378 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 9.12858 12.4934 7.8435 19.3357 14.7862 7.28831 19.3362 18.8493 11.7638 8.89417 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 9.12858 12.4934 7.8435 19.3357 14.7862 7.28831 10.6641 10.998 5.93472 9.95255 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 9.4523 10.8106 7.8435 19.7304 15.8624 9.19977 18.8744 18.8493 11.7638 8.74378 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 9.4523 10.8106 7.8435 17.211 14.7862 7.28831 18.8744 18.8493 11.7638 8.89417 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 9.4523 10.8106 7.8435 17.211 14.7862 7.28831 10.0875 10.998 5.93472 9.95255 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 11.3043 8.02554 9.84703 7.06961 8.43352 3.94967 7.36769 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 7.26086 3.9764 8.75597 6.65501 11.2092 4.62494 7.06961 8.43352 3.94967 6.88901 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 6.43433 6.75738 7.44041 12.9739 15.0784 8.72725 15.2058 14.1545 8.72143 7.80873 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.92283 5.43385 7.44041 10.1861 15.0784 8.72725 13.2091 14.1545 8.72143 7.80873 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.15431 4.57579 6.78801 10.8571 5.66194 7.75314 6.51918 5.44303 6.11089 5.87084 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 6.92648 8.57203 6.78801 11.8964 5.66194 7.75314 7.92788 5.44303 6.11089 5.87084 numMergedOcc 0
19 mol 131 unq 2 iso 0 dist 9.29384 12.6005 6.78801 14.9021 5.66194 7.75314 13.1439 5.44303 6.11089 5.87084 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.69515 13.2918 6.77921 11.0743 5.38571 6.65731 14.8238 12.165 14.0725 9.10042 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.69515 13.2918 6.77921 11.0743 5.38571 6.65731 12.6409 10.7655 13.1981 9.75059 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 6.69515 13.2918 6.77921 11.0743 5.38571 6.65731 10.1386 4.46777 3.98068 6.83404 numMergedOcc 0
23 mol 141 unq 3 iso 0 dist 7.86572 13.4066 6.77921 9.97343 5.38571 6.65731 9.74444 12.165 14.0725 9.10042 numMergedOcc 0
24 mol 141 unq 4 iso 0 dist 7.86572 13.4066 6.77921 9.97343 5.38571 6.65731 6.91919 10.7655 13.1981 9.75059 numMergedOcc 0
25 mol 141 unq 5 iso 0 dist 7.86572 13.4066 6.77921 9.97343 5.38571 6.65731 10.1432 4.46777 3.98068 6.83404 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 9.11712 4.00127 8.999 11.4288 11.6944 7.47964 15.1625 13.2038 11.4851 5.25109 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 9.11712 4.00127 8.999 11.4288 11.6944 7.47964 16.341 14.8717 12.9811 8.21618 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 6.26839 10.0756 5.53324 8.65535 5.92931 4.19371 11.6598 5.68348 4.002 6.1886 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 6.26839 11.8031 6.72182 12.4952 7.50057 9.00322 11.6598 5.68348 7.41775 6.38324 numMergedOcc 0
30 mol 194 unq 2 iso 0 dist 8.12346 10.2793 5.53324 12.0009 5.92931 4.19371 12.0887 5.68348 4.002 6.1886 numMergedOcc 0
31 mol 194 unq 3 iso 0 dist 8.12346 9.09233 6.72182 15.1649 7.50057 9.00322 12.0887 5.68348 7.41775 6.38324 numMergedOcc 0
32 mol 194 unq 4 iso 0 dist 8.83356 10.463 5.53324 12.645 5.92931 4.19371 7.11753 5.68348 4.002 6.1886 numMergedOcc 0
33 mol 194 unq 5 iso 0 dist 8.83356 4.66791 6.72182 6.72379 7.50057 9.00322 7.11753 5.68348 7.41775 6.38324 numMergedOcc 0
34 mol 194 unq 6 iso 0 dist 8.2654 12.8494 5.53324 13.9101 5.92931 4.19371 12.8755 5.68348 4.002 6.1886 numMergedOcc 0
35 mol 194 unq 7 iso 0 dist 8.2654 7.73551 6.72182 13.2138 7.50057 9.00322 12.8755 5.68348 7.41775 6.38324 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 8.87609 3.97158 7.8744 10.8091 8.98957 6.94762 5.76292 9.23935 3.94409 8.37739 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 8.87609 3.97158 7.8744 10.8091 8.98957 6.94762 8.21235 7.77552 6.88465 9.47237 numMergedOcc 0
