0 mol 51 unq 0 iso 0 dist 8.75256 9.88093 6.84697 13.9991 9.42071 16.2652 numMergedOcc 0
1 mol 51 unq 1 iso 0 dist 8.75256 9.88093 6.84697 9.90153 9.97973 8.55076 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 8.39026 8.85675 9.65072 7.68493 7.73993 11.4588 numMergedOcc 0
3 mol 120 unq 0 iso 0 dist 8.51585 4.7751 4.86603 5.58087 8.40669 7.50959 numMergedOcc 0
4 mol 124 unq 0 iso 0 dist 5.93793 6.67979 5.46636 4.04981 4.83761 8.50362 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 7.03633 9.00141 13.0042 12.319 7.50206 19.2619 numMergedOcc 0
6 mol 128 unq 1 iso 0 dist 7.03633 4.26814 4.21194 12.319 7.50206 10.8876 numMergedOcc 0
7 mol 128 unq 2 iso 0 dist 7.90691 7.66528 4.21194 8.39388 7.50206 10.8876 numMergedOcc 0
8 mol 128 unq 3 iso 0 dist 8.83011 7.66528 9.46982 8.39388 6.4028 10.8876 numMergedOcc 0
9 mol 188 unq 0 iso 0 dist 8.14959 9.81333 11.578 12.4412 8.8513 19.3735 numMergedOcc 0
10 mol 188 unq 1 iso 0 dist 8.14959 9.81333 11.578 16.3941 9.53031 18.9447 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 8.22643 9.33055 11.5264 8.61846 5.46768 13.403 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 7.47477 7.54599 7.13626 11.0055 8.47911 11.5645 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 8.65572 8.42431 15.8594 5.67721 8.47911 12.9546 numMergedOcc 0
14 mol 207 unq 0 iso 0 dist 5.86317 9.064 5.62485 5.47226 7.21449 11.092 numMergedOcc 0
15 mol 207 unq 1 iso 0 dist 5.86317 9.064 5.62485 10.8177 9.22778 13.5721 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.11795 6.26596 5.92503 8.09631 7.49436 9.46274 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.2776 5.33881 4.05076 6.39739 8.54084 6.90472 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 8.88027 9.73306 11.7851 8.24148 7.86146 15.5913 numMergedOcc 0
19 mol 281 unq 1 iso 0 dist 8.88027 9.73306 11.7851 12.5133 6.67705 18.2034 numMergedOcc 0
20 mol 281 unq 2 iso 0 dist 6.42743 7.8046 11.7851 8.1531 7.86146 15.5913 numMergedOcc 0
21 mol 281 unq 3 iso 0 dist 6.42743 7.8046 11.7851 11.731 6.67705 18.2034 numMergedOcc 0
22 mol 294 unq 0 iso 0 dist 5.78275 7.0445 4.65086 10.2858 9.21767 13.3854 numMergedOcc 0
23 mol 294 unq 1 iso 0 dist 5.78275 7.0445 4.65086 11.231 6.16375 7.94656 numMergedOcc 0
