0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 14.9909 8.13395 8.80331 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.15486 4.98107 9.4099 8.52969 10.6169 9.55426 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.52969 4.98107 9.55426 7.15486 10.6169 9.4099 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 18.2379 12.5396 8.84665 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 7.67586 11.7065 7.71095 13.1891 8.19458 8.25513 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 8.97292 14.1347 7.71095 20.4157 12.5396 8.84665 numMergedOcc 0
6 mol 59 unq 3 iso 0 dist 8.97292 14.1347 7.71095 17.0558 8.19458 8.25513 numMergedOcc 0
7 mol 59 unq 4 iso 0 dist 6.85083 7.35881 7.17396 12.4944 6.05545 9.21998 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 9.99643 8.2572 6.72123 13.6976 6.86346 6.65721 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.22406 5.41023 9.64443 13.6801 13.1316 9.33898 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 6.05043 6.40193 7.27724 10.3984 8.41707 8.03644 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 13.6601 8.8807 6.65086 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 17.6466 12.6515 6.56369 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 18.8484 13.887 9.30209 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 16.1978 8.8807 6.65086 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 9.26343 16.4386 7.47343 21.6939 12.6515 6.56369 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 9.26343 16.4386 7.47343 21.5791 13.887 9.30209 numMergedOcc 0
17 mol 117 unq 0 iso 0 dist 9.41387 9.3855 7.90328 13.8525 7.22206 7.83136 numMergedOcc 0
18 mol 117 unq 1 iso 0 dist 9.41387 9.3855 7.90328 15.4634 9.3584 7.0603 numMergedOcc 0
19 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 16.3001 9.05135 9.61051 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 9.69757 5.55373 7.12972 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 numMergedOcc 0
22 mol 131 unq 2 iso 0 dist 9.69757 6.82985 7.12972 6.38977 5.55373 8.40312 numMergedOcc 0
23 mol 131 unq 3 iso 0 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 9.54911 5.79898 9.89303 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 15.1189 8.80819 8.94367 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 6.99089 12.6542 6.49416 11.6481 5.00817 6.37586 numMergedOcc 0
27 mol 156 unq 0 iso 0 dist 7.80643 6.52984 7.44554 12.2418 5.56175 8.94056 numMergedOcc 0
28 mol 156 unq 1 iso 0 dist 7.80643 6.52984 7.44554 10.8849 8.38403 9.83699 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 7.04318 6.2715 5.6234 numMergedOcc 0
30 mol 175 unq 1 iso 0 dist 8.50904 8.09861 9.0018 11.9173 8.16421 6.57069 numMergedOcc 0
31 mol 175 unq 2 iso 0 dist 8.50904 10.1323 7.652 7.04318 6.2715 9.92231 numMergedOcc 0
32 mol 175 unq 3 iso 0 dist 7.04318 8.09861 5.6234 8.50904 6.2715 9.0018 numMergedOcc 0
33 mol 175 unq 4 iso 0 dist 7.04318 8.09861 5.6234 11.9173 5.35493 6.57069 numMergedOcc 0
34 mol 175 unq 5 iso 0 dist 7.04318 10.1323 9.92231 8.50904 6.2715 7.652 numMergedOcc 0
35 mol 178 unq 0 iso 0 dist 6.01118 9.73148 6.69288 10.064 5.34677 6.43573 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 6.01118 9.73148 6.69288 16.3874 11.7381 7.17202 numMergedOcc 0
37 mol 178 unq 2 iso 0 dist 6.01118 9.73148 6.69288 18.2053 14.0703 8.81551 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 6.96824 8.76337 7.63312 14.2075 8.85576 7.81386 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 9.25528 18.2027 9.1374 20.7774 13.2049 8.03334 numMergedOcc 0
41 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 11.3822 10.1912 9.09537 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 8.03567 12.2966 8.87694 16.5692 9.50685 9.09754 numMergedOcc 0
43 mol 206 unq 0 iso 0 dist 8.59262 13.472 9.774 13.3597 5.63422 7.7366 numMergedOcc 0
44 mol 220 unq 0 iso 0 dist 8.93637 14.8074 9.23153 15.9523 10.5449 8.24498 numMergedOcc 0
45 mol 222 unq 0 iso 0 dist 7.14277 4.02914 7.21333 11.6406 13.3522 8.01589 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 7.14277 4.02914 7.21333 9.43484 5.24516 7.7699 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 numMergedOcc 0
49 mol 227 unq 2 iso 0 dist 9.93154 6.78651 9.34734 9.18218 7.43198 7.56888 numMergedOcc 0
50 mol 227 unq 3 iso 0 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 numMergedOcc 0
51 mol 227 unq 4 iso 0 dist 9.18218 6.78651 7.56888 9.93154 7.43198 9.34734 numMergedOcc 0
52 mol 227 unq 5 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 numMergedOcc 0
53 mol 227 unq 6 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 numMergedOcc 0
54 mol 227 unq 7 iso 0 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 numMergedOcc 0
55 mol 227 unq 8 iso 0 dist 6.18486 6.78651 7.55216 9.93154 9.51866 9.34734 numMergedOcc 0
56 mol 227 unq 9 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 numMergedOcc 0
57 mol 227 unq 10 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 numMergedOcc 0
58 mol 227 unq 11 iso 0 dist 6.18486 6.78651 7.55216 9.18218 4.48529 7.56888 numMergedOcc 0
59 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 12.8567 10.8081 7.69895 numMergedOcc 0
60 mol 248 unq 1 iso 0 dist 8.34646 6.21372 8.2965 10.9878 5.86196 7.21521 numMergedOcc 0
61 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 15.1099 6.0987 8.1148 numMergedOcc 0
62 mol 252 unq 1 iso 0 dist 9.78185 16.8096 9.2288 15.1099 6.0987 8.1715 numMergedOcc 0
63 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 10.6039 7.26417 6.42289 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 6.49599 14.1932 8.13497 16.2468 10.582 8.53687 numMergedOcc 0
65 mol 259 unq 1 iso 0 dist 6.49599 13.8605 7.88519 9.34738 4.86771 7.84554 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 numMergedOcc 0
67 mol 259 unq 3 iso 0 dist 6.49599 13.8605 7.88519 14.8529 10.4881 9.18903 numMergedOcc 0
68 mol 259 unq 4 iso 0 dist 9.34738 13.8605 7.84554 6.49599 4.86771 7.88519 numMergedOcc 0
69 mol 259 unq 5 iso 0 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 numMergedOcc 0
70 mol 259 unq 6 iso 0 dist 9.34738 13.8605 7.84554 14.8529 5.87173 9.18903 numMergedOcc 0
71 mol 259 unq 7 iso 0 dist 9.47382 13.8605 7.46176 6.49599 6.96053 7.88519 numMergedOcc 0
72 mol 259 unq 8 iso 0 dist 9.47382 13.8605 7.46176 9.34738 7.64658 7.84554 numMergedOcc 0
73 mol 259 unq 9 iso 0 dist 9.47382 13.8605 7.46176 14.8529 10.5239 9.18903 numMergedOcc 0
74 mol 261 unq 0 iso 0 dist 7.26647 9.29412 8.43057 10.6622 10.0727 8.02547 numMergedOcc 0
75 mol 261 unq 1 iso 0 dist 7.26647 9.29412 8.43057 7.7309 4.63549 6.05727 numMergedOcc 0
76 mol 261 unq 2 iso 0 dist 7.7309 9.29412 6.05727 10.6622 5.51688 8.02547 numMergedOcc 0
77 mol 261 unq 3 iso 0 dist 7.7309 9.29412 6.05727 7.26647 4.63549 8.43057 numMergedOcc 0
78 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 7.66615 5.40809 8.46116 numMergedOcc 0
79 mol 272 unq 1 iso 0 dist 7.66615 10.3544 8.46116 7.22438 5.40809 8.33638 numMergedOcc 0
80 mol 276 unq 0 iso 0 dist 7.11272 5.75852 6.87396 12.2355 6.88557 9.8993 numMergedOcc 0
81 mol 282 unq 0 iso 0 dist 7.70229 8.93697 8.76532 10.9708 10.0156 8.04483 numMergedOcc 0
82 mol 282 unq 1 iso 0 dist 7.70229 8.93697 8.76532 7.90792 4.66602 6.33524 numMergedOcc 0
83 mol 282 unq 2 iso 0 dist 7.90792 8.93697 6.33524 10.9708 5.39891 8.04483 numMergedOcc 0
84 mol 282 unq 3 iso 0 dist 7.90792 8.93697 6.33524 7.70229 4.66602 8.76532 numMergedOcc 0
