0 mol 14 unq 0 iso 0 dist 6.11408 9.54103 10.6867 9.22226 5.0301 9.81815 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 4.10339 7.23823 9.64155 7.11464 6.94144 5.39321 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 7.14979 9.0481 6.50799 7.35929 4.49645 4.46355 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 5.85076 7.38545 6.15302 8.98051 7.22511 4.66465 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 5.92576 9.99609 7.87504 9.03196 5.86722 12.9785 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 5.92576 9.99609 7.87504 7.14461 6.57984 4.99645 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 5.92576 7.08616 10.9185 9.03196 5.86722 10.1967 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 5.92576 7.08616 10.9185 7.14461 6.57984 10.6701 numMergedOcc 0
8 mol 87 unq 4 iso 0 dist 5.92576 7.83182 11.5146 9.03196 5.86722 12.843 numMergedOcc 0
9 mol 87 unq 5 iso 0 dist 5.92576 7.83182 11.5146 7.14461 6.57984 7.79329 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.15982 7.35639 14.849 9.82907 11.585 9.70449 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 6.31232 7.3864 6.14262 7.55095 5.34732 4.87437 numMergedOcc 0
12 mol 124 unq 1 iso 0 dist 6.79597 7.18643 9.59067 9.13301 8.85132 12.5465 numMergedOcc 0
13 mol 124 unq 2 iso 0 dist 7.17224 7.3864 8.25721 7.55095 8.85132 4.87437 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.95717 8.98949 10.4812 8.74658 10.0563 13.3682 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 6.45502 7.75233 8.35641 9.58371 5.97811 11.5292 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 9.88342 9.01437 8.66083 9.63679 5.58658 6.6467 numMergedOcc 0
17 mol 247 unq 0 iso 0 dist 6.56182 8.0367 10.3845 6.76933 12.7218 11.1195 numMergedOcc 0
18 mol 247 unq 1 iso 0 dist 5.32075 8.0367 6.75612 6.76933 5.44215 11.1195 numMergedOcc 0
19 mol 254 unq 0 iso 0 dist 9.73281 9.61808 5.64395 9.00866 8.60531 6.5652 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 9.94532 7.68243 5.7487 6.8795 6.83989 5.45911 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 8.89938 4.87063 4.73458 8.16917 7.21193 4.49309 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 8.89938 8.56255 6.70161 8.16917 7.21193 3.93924 numMergedOcc 0
23 mol 276 unq 0 iso 0 dist 8.0652 8.63212 14.6731 8.74282 7.57645 12.4238 numMergedOcc 0
24 mol 293 unq 0 iso 0 dist 6.02106 8.84911 5.48105 8.60282 4.27008 8.37167 numMergedOcc 0
25 mol 293 unq 1 iso 0 dist 8.27274 8.84911 4.88851 8.60282 5.75555 8.37167 numMergedOcc 0
