0 mol 56 unq 0 iso 0 dist 9.6104 11.5896 6.80741 19.4583 12.3451 8.54845 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 7.5442 14.2704 9.02288 17.9613 14.4661 9.89021 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 9.92525 8.47277 8.21889 16.4857 11.6409 8.46734 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 9.03707 6.29844 8.64783 9.15982 4.45081 5.97879 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 6.46753 6.02237 8.40046 13.4733 14.0161 7.73139 numMergedOcc 0
5 mol 127 unq 1 iso 0 dist 6.46753 6.02237 8.40046 9.57623 6.39358 6.66607 numMergedOcc 0
6 mol 127 unq 2 iso 0 dist 6.46753 6.02237 8.40046 12.7081 15.8417 8.62711 numMergedOcc 0
7 mol 174 unq 0 iso 0 dist 7.66734 4.44203 8.76218 5.11555 5.07406 4.93781 numMergedOcc 0
8 mol 174 unq 1 iso 0 dist 7.66734 4.44203 8.76218 11.3353 10.8025 9.32818 numMergedOcc 0
9 mol 174 unq 2 iso 0 dist 7.66734 4.44203 8.76218 11.4543 13.1688 7.03029 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 5.16184 7.48422 7.86625 7.03216 4.39505 9.36307 numMergedOcc 0
11 mol 182 unq 1 iso 0 dist 8.54162 6.98787 7.86625 11.7599 4.39505 9.36307 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 9.94658 15.6793 8.04591 14.4239 4.81985 9.03315 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 8.87835 9.55205 9.67457 16.0463 14.0406 6.53736 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 8.87835 9.55205 9.67457 15.5339 11.7201 8.18851 numMergedOcc 0
15 mol 210 unq 2 iso 0 dist 9.54076 18.346 9.67457 22.5905 14.0406 6.53736 numMergedOcc 0
16 mol 210 unq 3 iso 0 dist 9.54076 18.346 9.67457 21.0303 11.7201 8.18851 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 9.0228 10.7593 8.77254 16.1895 10.1358 6.73134 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 8.95513 13.0766 9.9605 13.1598 6.46711 5.32724 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 5.49473 6.45234 6.47832 10.8009 7.05161 8.52208 numMergedOcc 0
