0 mol 54 unq 0 iso 0 dist 9.1695 7.51978 15.6611 13.323 20.032 6.59893 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.1695 7.51978 15.6611 10.6593 16.224 5.59773 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.90164 6.6606 6.96386 12.2255 14.3129 9.93344 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 8.61295 8.93196 10.2544 6.35845 13.3233 8.01692 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 8.41574 8.93196 4.32473 6.35845 5.61263 8.01692 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.97658 6.9538 5.71534 9.5165 10.444 7.38759 numMergedOcc 0
6 mol 110 unq 0 iso 0 dist 8.38998 6.59361 8.63598 6.82715 11.7281 5.25492 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.93751 7.65229 6.29923 12.9793 12.2718 6.85381 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.7504 9.2806 8.91034 4.30864 9.55276 7.11388 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 9.9479 7.96424 17.1899 14.7144 22.5367 8.48112 numMergedOcc 0
10 mol 220 unq 1 iso 0 dist 9.9479 8.93637 10.7994 15.653 20.6223 9.8711 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 6.9659 9.82174 5.48771 10.7991 11.1483 9.75174 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 8.09547 7.13194 13.3052 8.83643 16.3567 9.31417 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 8.09547 7.13194 13.3052 4.55701 12.5025 5.56719 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 8.66923 7.80166 7.04671 11.1397 11.0946 9.31417 numMergedOcc 0
15 mol 238 unq 4 iso 0 dist 8.66923 7.80166 7.04671 8.53461 10.1147 5.56719 numMergedOcc 0
16 mol 271 unq 0 iso 0 dist 6.33151 5.98336 5.08815 8.87398 11.8493 7.2671 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 14.4082 14.9853 8.13489 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.71269 7.28096 5.09322 5.75946 13.5786 9.6331 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 9.40407 7.28096 12.3043 5.75946 14.3861 9.6331 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 9.71269 7.28096 5.09322 5.75946 13.5786 9.6331 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 9.40407 7.28096 12.3043 5.75946 14.3861 9.6331 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 9.71269 7.28096 5.09322 5.75946 13.5786 9.6331 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 9.40407 7.28096 12.3043 5.75946 14.3861 9.6331 numMergedOcc 0
