0 mol 20 unq 0 iso 0 dist 8.72023 5.48225 8.25405 6.4934 6.31611 5.9809 9.03258 10.5895 5.28474 5.83917 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 13.2086 14.3325 9.06516 16.1742 13.9894 9.56136 6.79475 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.64015 6.08003 7.17026 10.3148 7.70178 8.35444 14.2428 13.9551 13.6068 6.52887 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 10.417 13.6622 6.61111 10.4782 12.2279 6.70343 4.44979 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.43433 6.75738 7.44041 11.6045 9.06991 8.91262 10.6559 10.2176 5.11 6.12922 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 9.92283 5.43385 7.44041 13.0457 9.06991 8.91262 9.5471 10.2176 5.11 6.12922 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 9.63176 8.96522 6.55202 9.68677 9.57341 12.7135 9.08536 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 9.63176 8.96522 9.08536 6.9194 9.6121 12.7135 6.55202 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.46588 10.7549 8.66815 7.75534 5.83002 9.93613 5.42561 9.48975 6.16496 8.7789 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 20.301 13.6926 6.57379 17.4294 12.1815 4.87973 5.73203 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 7.36779 10.092 6.99345 11.425 8.05714 6.44575 4.46337 5.11043 5.83782 7.43401 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 7.36779 4.46337 5.11043 11.425 8.05714 7.43401 10.092 6.99345 5.83782 6.44575 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.20836 16.4114 8.48313 21.5049 13.6926 6.57379 19.3762 12.1815 4.87973 5.73203 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 8.20836 12.8086 6.99345 11.2292 8.05714 6.44575 7.41373 5.11043 5.83782 7.43401 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 8.20836 7.41373 5.11043 11.2292 8.05714 7.43401 12.8086 6.99345 5.83782 6.44575 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 6.26839 11.8031 6.72182 12.1599 7.69247 7.10155 13.9025 9.996 5.31005 6.11135 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 8.12346 9.09233 6.72182 13.8412 7.69247 7.10155 12.3444 9.996 5.31005 6.11135 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 8.83356 4.66791 6.72182 5.48258 7.69247 7.10155 5.97754 9.996 5.31005 6.11135 numMergedOcc 0
18 mol 194 unq 3 iso 0 dist 8.2654 7.73551 6.72182 10.3975 7.69247 7.10155 8.01991 9.996 5.31005 6.11135 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 12.2336 8.99405 8.91356 12.7638 10.5222 9.9109 9.57455 numMergedOcc 0
