0 mol 20 unq 0 iso 0 dist 7.89835 4.71011 6.29237 9.14371 4.95725 9.4228 14.3246 12.9564 9.74724 16.7341 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.89835 4.71011 6.29237 9.14371 4.95725 9.4228 13.7531 10.9428 9.13347 14.3516 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.94205 4.71011 9.24286 9.14371 5.84217 9.4228 14.3246 15.7788 9.74724 16.7341 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.94205 4.71011 9.24286 9.14371 5.84217 9.4228 13.7531 13.8245 9.13347 14.3516 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 5.22014 11.9263 8.70016 10.6956 5.50396 8.80127 6.5268 3.67206 7.18124 6.7846 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 5.22014 11.9263 8.70016 10.6956 5.50396 8.80127 12.6101 8.93303 6.47026 8.03955 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 5.22014 11.9263 8.70016 16.6632 14.4081 6.48457 6.5268 3.67206 7.18124 13.2846 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 5.22014 11.9263 8.70016 16.6632 14.4081 6.48457 12.6101 8.93303 6.47026 12.3897 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 8.8014 11.4636 6.33905 10.6232 7.50975 9.18809 15.9569 7.18877 8.32093 10.9724 numMergedOcc 0
9 mol 78 unq 0 iso 0 dist 7.94467 4.44802 8.50364 11.0262 6.9648 8.72013 9.82284 9.20794 9.15754 12.3916 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.83419 9.4221 9.55761 11.4018 4.60151 8.82395 16.4304 11.2836 9.36638 11.8395 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.77082 3.65935 9.44847 9.17862 3.94537 8.69749 7.97266 5.38692 9.24005 4.23405 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.77082 6.43064 6.05839 9.17862 3.94537 5.96576 7.97266 5.38692 7.88846 4.23405 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 8.0675 8.49903 9.44847 8.27456 3.94537 8.69749 11.6899 5.38692 9.24005 4.23405 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 8.0675 5.11555 6.05839 8.27456 3.94537 5.96576 11.6899 5.38692 7.88846 4.23405 numMergedOcc 0
15 mol 116 unq 0 iso 0 dist 5.93365 8.18719 9.02925 7.55822 3.87365 8.10448 6.98134 3.43966 7.39112 5.49724 numMergedOcc 0
16 mol 116 unq 1 iso 0 dist 6.99944 13.5312 9.02925 10.5035 3.87365 8.10448 8.55413 3.43966 7.39112 5.49724 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 8.106 8.40497 8.47034 14.2439 9.63618 8.25636 13.3954 13.7144 9.74797 8.94298 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 8.106 8.40497 8.47034 14.2439 9.63618 8.25636 7.17276 3.12129 9.90494 11.1503 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 9.98518 6.80232 9.62446 14.6646 14.0303 9.29241 14.5005 11.4704 8.70479 4.21609 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 9.98518 6.80232 9.62446 14.6646 14.0303 9.29241 14.5005 11.4704 8.70479 4.21609 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 9.98518 6.80232 9.62446 14.6646 14.0303 9.29241 14.5005 11.4704 8.70479 4.21609 numMergedOcc 0
