0 mol 6 unq 0 iso 0 dist 7.8489 6.27506 9.38351 12.0151 13.9523 6.36157 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 4.85282 10.8346 9.65672 17.6992 14.3275 9.11512 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.77675 5.72979 8.34804 11.3861 10.7182 8.27009 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 5.77675 5.72979 8.34804 7.72671 5.66613 5.80736 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 5.64099 10.8479 8.44207 7.55765 4.95662 8.68674 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 9.69111 6.54826 8.79954 13.7124 9.70858 9.11481 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 9.03681 16.0045 8.79954 14.9686 9.70858 9.11481 numMergedOcc 0
7 mol 187 unq 0 iso 0 dist 8.45366 11.1486 5.82577 15.1017 10.7172 5.58167 numMergedOcc 0
8 mol 187 unq 1 iso 0 dist 8.45366 11.1486 5.82577 12.8865 4.75665 8.0501 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.02212 11.3102 9.10569 9.96128 5.41356 7.36571 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 9.02212 11.3102 9.10569 15.2405 8.1874 9.80122 numMergedOcc 0
11 mol 192 unq 2 iso 0 dist 9.02212 11.3102 9.10569 6.69338 4.87986 9.17137 numMergedOcc 0
12 mol 217 unq 0 iso 0 dist 8.09716 7.7281 8.60259 11.4204 6.44163 7.60302 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 8.17234 5.74427 5.75755 10.5789 3.99138 7.39596 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 9.44043 11.49 9.17911 18.3453 15.4705 8.10903 numMergedOcc 0
15 mol 258 unq 1 iso 0 dist 9.44043 11.49 9.17911 18.6017 13.8539 7.25618 numMergedOcc 0
16 mol 258 unq 2 iso 0 dist 5.3435 5.99858 9.17911 12.5388 15.4705 8.10903 numMergedOcc 0
17 mol 258 unq 3 iso 0 dist 5.3435 5.99858 9.17911 9.64956 13.8539 7.25618 numMergedOcc 0
18 mol 258 unq 4 iso 0 dist 8.28364 7.85691 9.17911 15.2624 15.4705 8.10903 numMergedOcc 0
19 mol 258 unq 5 iso 0 dist 8.28364 7.85691 9.17911 12.0662 13.8539 7.25618 numMergedOcc 0
20 mol 272 unq 0 iso 0 dist 6.20857 12.7454 9.52059 8.38819 4.35986 5.37747 numMergedOcc 0
