0 mol 1 unq 0 iso 0 dist 9.84681 12.4172 5.06175 15.0798 7.17521 6.40075 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.84681 12.4172 5.06175 16.0159 6.83338 4.51318 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.84681 12.4172 5.06175 11.3657 9.59537 6.33091 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 7.71617 8.02814 9.78134 4.40181 9.41017 7.29489 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.23389 5.68539 4.74654 6.03363 9.0504 4.50342 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.75341 9.65371 7.47162 7.94629 8.4701 10.5011 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 7.77953 7.47242 9.84288 9.0185 8.77355 5.06999 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.58666 14.4523 6.6536 11.8321 8.06134 6.24821 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 9.58666 14.4523 6.6536 12.465 5.36587 6.74235 numMergedOcc 0
9 mol 170 unq 0 iso 0 dist 8.95292 15.6007 9.66676 11.6623 6.47164 4.11212 numMergedOcc 0
10 mol 170 unq 1 iso 0 dist 8.95292 15.6007 9.66676 10.9608 9.65126 9.2613 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 5.08438 9.10689 6.65077 8.94335 9.24936 7.07871 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 5.07975 10.4672 7.99441 10.2815 8.43195 4.07008 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 4.85015 10.4672 6.71817 10.2815 8.23406 4.07008 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.83742 5.2011 8.565 6.47466 5.05368 8.65179 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.69491 16.88 9.993 13.0625 8.95511 9.08479 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 7.69491 16.88 9.993 4.88461 5.85002 15.0274 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 6.64008 14.2079 9.993 15.1473 8.95511 9.08479 numMergedOcc 0
18 mol 239 unq 3 iso 0 dist 6.64008 14.2079 9.993 6.62656 5.85002 15.0274 numMergedOcc 0
19 mol 242 unq 0 iso 0 dist 9.14189 4.99882 8.29838 6.88806 6.31971 5.53523 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 8.9352 7.78018 8.34313 13.4771 7.17958 15.4124 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 5.8845 5.38411 8.34313 12.7014 7.17958 15.4124 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 9.33418 8.33363 8.66659 10.1355 9.38222 13.1985 numMergedOcc 0
