0 mol 10 unq 0 iso 0 dist 8.95503 6.23648 6.02154 3.5691 6.50154 4.68389 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.62693 5.23054 5.84066 14.8978 7.84204 11.3766 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 5.67098 6.24306 9.35784 3.97946 5.42296 7.63211 numMergedOcc 0
3 mol 56 unq 1 iso 0 dist 8.58218 9.63592 9.35784 7.82134 5.42296 7.63211 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.17564 10.8351 8.67634 4.82623 7.92479 13.5062 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 8.17564 10.8351 8.67634 8.76577 7.86646 4.83079 numMergedOcc 0
6 mol 59 unq 2 iso 0 dist 7.19213 8.08163 8.67634 6.24283 7.92479 13.5062 numMergedOcc 0
7 mol 59 unq 3 iso 0 dist 7.19213 8.08163 8.67634 5.00893 7.86646 4.83079 numMergedOcc 0
8 mol 59 unq 4 iso 0 dist 6.94351 10.8454 8.67634 14.6444 7.92479 13.5062 numMergedOcc 0
9 mol 59 unq 5 iso 0 dist 6.94351 10.8454 8.67634 12.5693 7.86646 4.83079 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 7.09641 7.69571 9.92638 3.60431 9.40835 8.56187 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.15288 7.72904 5.47706 5.07418 7.03887 6.99884 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 9.15288 7.72904 5.47706 5.40359 5.36451 3.75261 numMergedOcc 0
13 mol 78 unq 2 iso 0 dist 9.15288 7.72904 5.47706 9.35997 9.28354 10.6388 numMergedOcc 0
14 mol 78 unq 3 iso 0 dist 9.15288 13.6432 8.89842 5.07418 7.03887 14.1409 numMergedOcc 0
15 mol 78 unq 4 iso 0 dist 9.15288 13.6432 8.89842 5.40359 5.36451 11.1725 numMergedOcc 0
16 mol 78 unq 5 iso 0 dist 9.15288 13.6432 8.89842 9.35997 9.28354 17.572 numMergedOcc 0
17 mol 78 unq 6 iso 0 dist 9.15288 9.64221 8.07568 5.07418 7.03887 4.75637 numMergedOcc 0
18 mol 78 unq 7 iso 0 dist 9.15288 9.64221 8.07568 5.40359 5.36451 5.62063 numMergedOcc 0
19 mol 78 unq 8 iso 0 dist 9.15288 9.64221 8.07568 9.35997 9.28354 3.81575 numMergedOcc 0
20 mol 78 unq 9 iso 0 dist 9.4909 11.0011 5.47706 12.3912 7.03887 6.99884 numMergedOcc 0
21 mol 78 unq 10 iso 0 dist 9.4909 11.0011 5.47706 11.2645 5.36451 3.75261 numMergedOcc 0
22 mol 78 unq 11 iso 0 dist 9.4909 11.0011 5.47706 15.9147 9.28354 10.6388 numMergedOcc 0
23 mol 78 unq 12 iso 0 dist 9.4909 10.0477 8.89842 12.3912 7.03887 14.1409 numMergedOcc 0
24 mol 78 unq 13 iso 0 dist 9.4909 10.0477 8.89842 11.2645 5.36451 11.1725 numMergedOcc 0
25 mol 78 unq 14 iso 0 dist 9.4909 10.0477 8.89842 15.9147 9.28354 17.572 numMergedOcc 0
26 mol 78 unq 15 iso 0 dist 9.4909 16.0481 8.07568 12.3912 7.03887 4.75637 numMergedOcc 0
27 mol 78 unq 16 iso 0 dist 9.4909 16.0481 8.07568 11.2645 5.36451 5.62063 numMergedOcc 0
28 mol 78 unq 17 iso 0 dist 9.4909 16.0481 8.07568 15.9147 9.28354 3.81575 numMergedOcc 0
29 mol 88 unq 0 iso 0 dist 6.98838 7.32542 5.28732 3.48087 6.1847 5.06277 numMergedOcc 0
30 mol 88 unq 1 iso 0 dist 6.98838 7.32542 5.28732 10.0091 4.70557 5.70431 numMergedOcc 0
31 mol 95 unq 0 iso 0 dist 6.64631 8.97717 9.51318 12.1081 9.51981 5.76547 numMergedOcc 0
32 mol 95 unq 1 iso 0 dist 6.64631 10.5689 9.84457 12.1081 9.51981 3.62998 numMergedOcc 0
33 mol 113 unq 0 iso 0 dist 5.44714 3.97791 5.29949 8.67805 5.45882 8.39067 numMergedOcc 0
34 mol 113 unq 1 iso 0 dist 5.44714 3.97791 5.29949 6.03962 4.57487 7.44033 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 9.00025 4.6563 9.65629 3.47137 7.6077 5.42718 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.17129 7.19461 9.09234 3.59953 6.91878 5.09584 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 6.17129 9.77747 6.76746 3.59953 6.91878 11.4645 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 6.17129 10.0615 8.92098 3.59953 6.91878 11.5807 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 5.83596 11.195 9.09234 9.61614 6.91878 5.09584 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 5.83596 4.76079 6.76746 9.61614 6.91878 11.4645 numMergedOcc 0
41 mol 181 unq 5 iso 0 dist 5.83596 6.38851 8.92098 9.61614 6.91878 11.5807 numMergedOcc 0
42 mol 197 unq 0 iso 0 dist 8.32685 15.7632 9.27218 11.8425 9.6071 13.3283 numMergedOcc 0
43 mol 197 unq 1 iso 0 dist 8.32685 15.7632 9.27218 12.2163 9.77656 17.435 numMergedOcc 0
44 mol 197 unq 2 iso 0 dist 6.74777 15.6628 9.27218 10.0045 9.77656 17.435 numMergedOcc 0
45 mol 197 unq 3 iso 0 dist 6.74777 15.6628 9.27218 13.1467 9.6071 13.3283 numMergedOcc 0
46 mol 197 unq 4 iso 0 dist 9.62514 18.7224 9.27218 8.82321 9.77656 17.435 numMergedOcc 0
47 mol 197 unq 5 iso 0 dist 9.62514 18.7224 9.27218 15.1287 9.6071 13.3283 numMergedOcc 0
48 mol 204 unq 0 iso 0 dist 9.86352 7.60521 8.66162 5.97362 7.76863 4.7839 numMergedOcc 0
49 mol 204 unq 1 iso 0 dist 9.42374 9.69119 5.3819 5.8523 4.51124 5.80328 numMergedOcc 0
50 mol 204 unq 2 iso 0 dist 9.42374 9.69119 5.3819 10.6525 8.41517 3.68217 numMergedOcc 0
51 mol 214 unq 0 iso 0 dist 9.39099 9.75492 9.58372 7.89413 7.72298 3.64285 numMergedOcc 0
52 mol 218 unq 0 iso 0 dist 7.90156 11.2254 8.61306 9.16208 8.5244 5.42052 numMergedOcc 0
53 mol 234 unq 0 iso 0 dist 7.19662 5.99784 6.86569 9.98235 7.35086 4.70248 numMergedOcc 0
54 mol 239 unq 0 iso 0 dist 5.66792 11.2891 9.74902 6.29809 6.16848 11.0087 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 9.53092 9.92544 8.84648 4.21541 9.28024 6.12744 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 9.53092 12.9171 6.23661 4.21541 9.28024 11.169 numMergedOcc 0
