0 mol 26 unq 0 iso 0 dist 8.44506 10.9837 9.5053 7.11305 6.38243 4.76998 11.9684 5.66783 6.56527 6.81793 numMergedOcc 0
1 mol 93 unq 0 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 24.4789 15.8624 23.3973 9.19977 numMergedOcc 0
2 mol 93 unq 1 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 23.3751 14.7862 22.1507 7.28831 numMergedOcc 0
3 mol 93 unq 2 iso 0 dist 9.81831 4.4022 7.62611 16.1023 7.8435 14.9656 18.2573 9.42916 16.0808 9.71411 numMergedOcc 0
4 mol 93 unq 3 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 20.2792 15.8624 23.3973 9.19977 numMergedOcc 0
5 mol 93 unq 4 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 19.3357 14.7862 22.1507 7.28831 numMergedOcc 0
6 mol 93 unq 5 iso 0 dist 9.12858 8.96224 7.62611 12.4934 7.8435 14.9656 16.6164 9.42916 16.0808 9.71411 numMergedOcc 0
7 mol 93 unq 6 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 19.7304 15.8624 23.3973 9.19977 numMergedOcc 0
8 mol 93 unq 7 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 17.211 14.7862 22.1507 7.28831 numMergedOcc 0
9 mol 93 unq 8 iso 0 dist 9.4523 10.3849 7.62611 10.8106 7.8435 14.9656 17.9577 9.42916 16.0808 9.71411 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 11.3043 8.02554 7.36769 9.84703 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 7.26086 7.06961 8.43352 3.9764 8.75597 3.94967 6.65501 11.2092 6.88901 4.62494 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.77116 7.20179 8.8562 9.68677 9.57341 5.37917 17.8739 14.8901 12.0976 8.67537 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.77116 9.89358 7.91683 9.68677 9.57341 15.7711 17.8739 14.8901 21.1416 8.67537 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 9.15431 6.51918 5.44303 4.57579 6.78801 6.11089 10.8571 5.66194 5.87084 7.75314 numMergedOcc 0
15 mol 131 unq 1 iso 0 dist 9.15431 9.60968 8.50562 4.57579 6.78801 10.9311 10.8571 5.66194 10.1472 7.75314 numMergedOcc 0
16 mol 131 unq 2 iso 0 dist 6.92648 7.92788 5.44303 8.57203 6.78801 6.11089 11.8964 5.66194 5.87084 7.75314 numMergedOcc 0
17 mol 131 unq 3 iso 0 dist 6.92648 8.23791 8.50562 8.57203 6.78801 10.9311 11.8964 5.66194 10.1472 7.75314 numMergedOcc 0
18 mol 131 unq 4 iso 0 dist 9.29384 13.1439 5.44303 12.6005 6.78801 6.11089 14.9021 5.66194 5.87084 7.75314 numMergedOcc 0
19 mol 131 unq 5 iso 0 dist 9.29384 13.7237 8.50562 12.6005 6.78801 10.9311 14.9021 5.66194 10.1472 7.75314 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.69515 10.1386 4.46777 13.2918 6.77921 3.98068 11.0743 5.38571 6.83404 6.65731 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.69515 7.42649 6.94988 13.2918 6.77921 10.1551 11.0743 5.38571 11.8798 6.65731 numMergedOcc 0
22 mol 141 unq 2 iso 0 dist 7.86572 10.1432 4.46777 13.4066 6.77921 3.98068 9.97343 5.38571 6.83404 6.65731 numMergedOcc 0
23 mol 141 unq 3 iso 0 dist 7.86572 9.43674 6.94988 13.4066 6.77921 10.1551 9.97343 5.38571 11.8798 6.65731 numMergedOcc 0
24 mol 158 unq 0 iso 0 dist 7.88319 6.4079 6.76055 13.7172 6.11331 11.3715 14.6377 10.8263 16.3681 9.97968 numMergedOcc 0
25 mol 158 unq 1 iso 0 dist 7.88319 4.25067 9.36343 13.7172 6.11331 14.1217 14.6377 10.8263 14.47 9.97968 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.26839 11.6598 5.68348 10.0756 5.53324 4.002 8.65535 5.92931 6.1886 4.19371 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 6.26839 11.6598 5.68348 11.8031 6.72182 7.41775 12.4952 7.50057 6.38324 9.00322 numMergedOcc 0
28 mol 194 unq 2 iso 0 dist 8.12346 12.0887 5.68348 10.2793 5.53324 4.002 12.0009 5.92931 6.1886 4.19371 numMergedOcc 0
29 mol 194 unq 3 iso 0 dist 8.12346 12.0887 5.68348 9.09233 6.72182 7.41775 15.1649 7.50057 6.38324 9.00322 numMergedOcc 0
30 mol 194 unq 4 iso 0 dist 8.83356 7.11753 5.68348 10.463 5.53324 4.002 12.645 5.92931 6.1886 4.19371 numMergedOcc 0
31 mol 194 unq 5 iso 0 dist 8.83356 7.11753 5.68348 4.66791 6.72182 7.41775 6.72379 7.50057 6.38324 9.00322 numMergedOcc 0
32 mol 194 unq 6 iso 0 dist 8.2654 12.8755 5.68348 12.8494 5.53324 4.002 13.9101 5.92931 6.1886 4.19371 numMergedOcc 0
33 mol 194 unq 7 iso 0 dist 8.2654 12.8755 5.68348 7.73551 6.72182 7.41775 13.2138 7.50057 6.38324 9.00322 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.87609 5.76292 9.23935 3.97158 7.8744 3.94409 10.8091 8.98957 8.37739 6.94762 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 8.87609 5.76292 9.23935 3.97158 7.8744 3.94409 10.281 6.59663 10.6612 7.7086 numMergedOcc 0
36 mol 225 unq 2 iso 0 dist 8.87609 8.21235 7.77552 3.97158 7.8744 6.88465 10.8091 8.98957 9.47237 6.94762 numMergedOcc 0
37 mol 225 unq 3 iso 0 dist 8.87609 8.21235 7.77552 3.97158 7.8744 6.88465 10.281 6.59663 11.3252 7.7086 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 8.29305 9.37316 9.30921 8.70069 7.37478 9.53157 13.6219 5.89415 11.0829 8.98854 numMergedOcc 0
39 mol 279 unq 1 iso 0 dist 8.29305 9.37316 9.30921 8.70069 7.37478 9.53157 16.8274 15.1378 12.6072 9.42255 numMergedOcc 0
40 mol 279 unq 2 iso 0 dist 6.43341 5.58929 9.30921 4.14939 7.37478 9.53157 9.09855 5.89415 11.0829 8.98854 numMergedOcc 0
41 mol 279 unq 3 iso 0 dist 6.43341 5.58929 9.30921 4.14939 7.37478 9.53157 10.6879 15.1378 12.6072 9.42255 numMergedOcc 0
