0 mol 28 unq 0 iso 0 dist 6.75443 8.85208 13.1749 4.3475 8.79638 12.5879 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.75443 9.04974 9.39491 4.3475 8.79638 10.9751 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.84283 5.66828 3.97968 4.50098 7.82759 5.42412 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.02508 8.85208 17.8219 4.3475 6.42785 12.5879 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.02508 9.04974 13.3085 4.3475 6.42785 10.9751 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.04621 7.61643 15.7682 6.95803 5.75809 12.5879 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 8.44081 8.85208 15.7682 4.3475 5.75809 12.5879 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 8.44081 9.04974 9.64016 4.3475 5.75809 10.9751 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 7.59933 9.63542 4.75331 3.24351 6.89423 7.72377 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 7.15006 9.05293 5.46484 10.3999 7.60619 6.64921 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 6.01062 7.38306 8.33568 4.71092 6.93017 10.7556 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 5.24705 5.8391 7.8719 3.31938 5.8294 8.98633 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 6.84692 7.95378 4.56036 5.9338 7.14918 4.44509 numMergedOcc 0
13 mol 239 unq 1 iso 0 dist 6.84692 7.95378 4.56036 8.28284 9.29322 12.977 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 8.65727 6.95552 10.6916 6.85112 6.16759 12.3794 numMergedOcc 0
15 mol 275 unq 0 iso 0 dist 9.80175 9.88669 7.67399 4.01643 9.02007 10.7015 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 5.16952 7.64844 5.99976 10.027 9.33041 14.9786 numMergedOcc 0
17 mol 276 unq 1 iso 0 dist 5.16952 7.64844 5.99976 6.90856 8.7117 13.2179 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.62793 9.53867 10.154 5.28038 9.57637 5.55176 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.62793 9.53867 10.154 5.28038 9.57637 5.55176 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 9.62793 9.53867 10.154 5.28038 9.57637 5.55176 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 7.06322 9.21126 5.82472 4.34603 8.27039 11.5329 numMergedOcc 0
