0 mol 27 unq 0 iso 0 dist 9.76721 13.2287 8.57551 9.93763 7.43804 4.7474 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.76721 14.8458 9.32506 9.93763 7.43804 9.37609 numMergedOcc 0
2 mol 35 unq 0 iso 0 dist 5.55901 11.0391 9.03313 6.17326 8.89258 8.50671 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 8.20976 13.2028 9.93484 6.02306 9.82368 10.0226 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.11803 5.68632 8.72121 9.08676 9.29087 5.17882 numMergedOcc 0
5 mol 107 unq 0 iso 0 dist 8.83855 12.4695 6.99676 11.0367 6.93417 8.38066 numMergedOcc 0
6 mol 107 unq 1 iso 0 dist 8.83855 12.4695 6.99676 3.85355 6.36246 8.84464 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.29634 10.5389 7.43445 9.79485 8.81779 11.6071 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.13829 12.314 7.82186 5.1682 9.32166 10.5555 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.13829 14.2862 5.85006 5.1682 9.32166 15.1558 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 5.90276 9.31366 7.82186 8.25036 9.32166 10.5555 numMergedOcc 0
11 mol 120 unq 3 iso 0 dist 5.90276 9.8665 5.85006 8.25036 9.32166 15.1558 numMergedOcc 0
12 mol 120 unq 4 iso 0 dist 8.565 14.5868 7.82186 17.4169 9.32166 10.5555 numMergedOcc 0
13 mol 120 unq 5 iso 0 dist 8.565 4.15475 5.85006 17.4169 9.32166 15.1558 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 9.19804 13.7645 8.9675 4.89133 6.61386 11.8677 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 8.99034 12.2516 7.80955 5.5367 6.00293 7.6506 numMergedOcc 0
16 mol 162 unq 1 iso 0 dist 8.99034 5.55488 6.66396 5.5367 6.00293 7.2417 numMergedOcc 0
17 mol 163 unq 0 iso 0 dist 6.54995 8.52732 6.35103 6.56076 7.27002 4.2381 numMergedOcc 0
18 mol 163 unq 1 iso 0 dist 5.27374 10.0505 6.35103 9.55758 7.27002 4.2381 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.25305 9.85902 9.93683 8.36403 9.85415 16.3538 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.25305 9.85902 9.93683 8.4512 6.61806 15.2206 numMergedOcc 0
21 mol 205 unq 2 iso 0 dist 9.67328 7.34713 8.54088 9.70781 8.24405 6.01148 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 6.94771 6.60799 9.92712 8.04161 9.23268 8.50924 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 8.74988 6.28086 7.5725 4.97784 7.81987 5.02022 numMergedOcc 0
