0 mol 32 unq 0 iso 0 dist 5.78231 6.39966 6.89423 12.4304 8.91596 10.0517 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 9.41538 10.5977 6.89423 4.5514 8.91596 10.0517 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.72036 6.66552 7.80117 14.3492 9.02471 9.69698 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.72036 14.2962 9.79386 14.3492 9.02471 5.90113 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 5.81662 6.92267 8.99393 5.80658 9.45756 9.79109 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.16745 4.33482 5.7576 5.78226 6.23522 5.33851 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.16745 4.33482 5.7576 6.34076 9.10566 8.3449 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 6.16745 4.33482 5.7576 10.9974 9.62027 10.9046 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.27814 11.0215 6.2753 13.4816 9.01812 6.38992 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.71568 8.39835 7.68838 10.6579 7.44558 11.619 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 5.81859 6.60434 7.68838 6.24368 7.44558 11.619 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 8.03867 8.1844 8.16392 10.6596 7.42146 11.8473 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 5.94465 6.63536 8.16392 6.3368 7.42146 11.8473 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 8.06631 5.20968 9.66083 11.5024 8.57739 12.0443 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.24832 8.22885 7.39733 10.9813 8.29467 7.07865 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.24832 5.58305 8.74268 10.9813 8.29467 13.9526 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.00382 5.43796 8.45086 9.21913 9.65093 8.3612 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 4.55528 7.59741 7.26295 9.45062 9.52922 15.6354 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 4.42095 7.59741 7.31316 10.8182 9.38984 14.1448 numMergedOcc 0
19 mol 194 unq 2 iso 0 dist 4.42095 7.59741 7.31316 10.0354 9.91118 12.1716 numMergedOcc 0
20 mol 194 unq 3 iso 0 dist 4.42095 12.4055 8.9865 10.8182 9.38984 8.50813 numMergedOcc 0
21 mol 194 unq 4 iso 0 dist 4.42095 12.4055 8.9865 10.0354 9.91118 12.6254 numMergedOcc 0
22 mol 194 unq 5 iso 0 dist 6.88386 11.577 7.26295 10.6236 9.52922 15.6354 numMergedOcc 0
23 mol 194 unq 6 iso 0 dist 4.63898 11.577 7.31316 7.58286 9.38984 14.1448 numMergedOcc 0
24 mol 194 unq 7 iso 0 dist 4.63898 11.577 7.31316 9.53373 9.91118 12.1716 numMergedOcc 0
25 mol 194 unq 8 iso 0 dist 4.63898 7.3101 8.9865 7.58286 9.38984 8.50813 numMergedOcc 0
26 mol 194 unq 9 iso 0 dist 4.63898 7.3101 8.9865 9.53373 9.91118 12.6254 numMergedOcc 0
27 mol 194 unq 10 iso 0 dist 9.53641 7.22039 7.31316 10.4127 9.38984 14.1448 numMergedOcc 0
28 mol 194 unq 11 iso 0 dist 9.53641 7.22039 7.31316 7.1015 9.91118 12.1716 numMergedOcc 0
29 mol 194 unq 12 iso 0 dist 9.53641 15.217 8.9865 10.4127 9.38984 8.50813 numMergedOcc 0
30 mol 194 unq 13 iso 0 dist 9.53641 15.217 8.9865 7.1015 9.91118 12.6254 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 5.2116 9.93257 7.38867 4.52914 8.55044 12.4004 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 9.89615 13.0142 8.90108 15.8358 8.12739 7.64772 numMergedOcc 0
33 mol 274 unq 1 iso 0 dist 5.77565 3.93072 8.90108 4.68199 8.12739 7.64772 numMergedOcc 0
34 mol 274 unq 2 iso 0 dist 6.32853 8.60551 7.70811 4.68199 6.09853 7.26296 numMergedOcc 0
35 mol 274 unq 3 iso 0 dist 6.32853 3.93072 9.98144 4.68199 6.09853 7.64772 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.17634 5.30118 8.598 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 9.14217 5.11604 7.29668 7.78985 8.98698 10.9452 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.17634 5.30118 8.598 numMergedOcc 0
39 mol 288 unq 1 iso 0 dist 9.14217 5.11604 7.29668 7.78985 8.98698 10.9452 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 9.14217 5.11604 7.29668 7.17634 5.30118 8.598 numMergedOcc 0
41 mol 289 unq 1 iso 0 dist 9.14217 5.11604 7.29668 7.78985 8.98698 10.9452 numMergedOcc 0
