0 mol 52 unq 0 iso 0 dist 9.89949 7.68916 10.8037 11.9986 18.4065 9.80098 9.04053 15.0634 6.31696 11.6682 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 9.89949 7.68916 10.8037 13.3091 18.0843 7.34143 9.04053 15.0634 6.31696 6.66056 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.79055 5.89394 7.17015 6.80709 13.8155 7.4729 10.9738 13.0999 6.95572 9.50382 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 9.79055 5.89394 7.17015 6.80709 13.8155 7.4729 10.3703 10.7591 7.38677 12.7565 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 9.79055 5.89394 7.17015 6.20561 11.9838 6.82344 10.9738 13.0999 6.95572 7.56363 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 9.79055 5.89394 7.17015 6.20561 11.9838 6.82344 10.3703 10.7591 7.38677 5.91004 numMergedOcc 0
6 mol 92 unq 4 iso 0 dist 9.28919 5.89394 4.52119 6.80709 11.8917 7.4729 10.9738 9.18898 6.95572 9.50382 numMergedOcc 0
7 mol 92 unq 5 iso 0 dist 9.28919 5.89394 4.52119 6.80709 11.8917 7.4729 10.3703 7.67331 7.38677 12.7565 numMergedOcc 0
8 mol 92 unq 6 iso 0 dist 9.28919 5.89394 4.52119 6.20561 9.79361 6.82344 10.9738 9.18898 6.95572 7.56363 numMergedOcc 0
9 mol 92 unq 7 iso 0 dist 9.28919 5.89394 4.52119 6.20561 9.79361 6.82344 10.3703 7.67331 7.38677 5.91004 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 6.34761 5.87387 5.74067 6.4595 11.6386 7.5732 10.6075 12.1168 6.84011 7.436 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 4.38961 5.09114 4.42285 6.01457 9.69426 8.37808 10.5529 11.7617 9.23819 7.39059 numMergedOcc 0
12 mol 122 unq 1 iso 0 dist 4.38961 5.09114 4.42285 6.01457 9.69426 8.37808 9.32745 11.999 8.88537 5.0355 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 8.01303 6.64164 8.66436 5.361 5.59806 9.87651 10.2539 15.1236 9.67741 13.0123 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 8.67838 6.07676 4.11061 6.05039 11.5719 8.03334 6.28923 10.5689 6.46704 4.43096 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 8.67838 6.07676 4.11061 6.05039 11.5719 8.03334 6.10683 6.95568 6.59025 8.04639 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 14.0488 16.8304 7.10633 15.254 20.0367 9.68728 7.67571 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 6.99474 7.92766 10.6493 7.58285 13.8331 8.51516 15.254 20.0367 9.68728 10.8573 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.79839 8.93637 8.0303 14.8074 10.6535 9.23153 12.5597 7.4513 6.59716 7.11498 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 14.1932 15.2047 8.13497 10.451 14.0408 7.98231 8.41846 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 6.37648 6.49599 7.49016 13.8605 13.4991 7.88519 10.451 14.0408 7.98231 8.81835 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 6.37648 9.47382 9.84081 13.8605 13.4991 7.46176 10.451 14.0408 7.08526 8.81835 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.22345 5.69465 8.04474 8.46956 9.30668 8.2734 11.7781 13.7647 7.07965 10.8848 numMergedOcc 0
