0 mol 7 unq 0 iso 0 dist 8.57437 5.77374 5.63739 17.7278 9.85726 13.148 15.262 11.5784 10.1919 9.60499 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 5.01162 9.83754 9.7298 9.88291 6.59893 12.134 11.0361 11.9881 16.7397 9.5589 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 5.01162 9.83754 9.7298 9.88291 6.59893 12.134 11.4465 10.3564 17.2265 6.83299 numMergedOcc 0
3 mol 54 unq 2 iso 0 dist 5.01162 9.83754 9.7298 9.88291 6.59893 12.134 16.0531 12.4254 12.6708 8.10861 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 7.28917 7.02173 4.18809 16.7918 9.62468 12.364 17.6513 10.7369 11.426 6.65721 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 7.28917 7.02173 4.18809 16.7918 9.62468 12.364 18.1412 11.5608 12.3231 6.72123 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 5.58346 9.10386 5.47475 4.69583 6.89722 7.26679 11.0671 10.4716 8.31041 9.96396 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.58346 9.10386 5.47475 4.69583 6.89722 7.26679 6.18305 5.2774 5.44275 6.19304 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.58346 9.10386 5.47475 4.69583 6.89722 7.26679 13.2599 13.9156 11.2674 8.70481 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.10386 5.58346 5.47475 15.7901 9.68526 11.7436 11.0671 8.31041 10.4716 9.38498 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 9.10386 5.58346 5.47475 4.69583 7.26679 6.89722 11.0671 8.31041 10.4716 9.96396 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 9.10386 5.58346 5.47475 4.69583 7.26679 6.89722 6.18305 5.44275 5.2774 6.19304 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 9.10386 5.58346 5.47475 4.69583 7.26679 6.89722 13.2599 11.2674 13.9156 8.70481 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 9.10386 5.58346 5.47475 15.8603 9.30776 14.4206 11.0671 8.31041 10.4716 9.75218 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.74364 8.60026 10.1168 4.52119 4.98104 10.7379 11.8917 10.7572 17.1668 7.4729 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 5.74364 8.60026 10.1168 4.52119 4.98104 10.7379 9.79361 5.50764 11.6339 6.82344 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 8.07962 9.54857 7.56811 8.58092 9.01767 9.80678 11.1118 6.42572 5.54551 7.36792 numMergedOcc 0
17 mol 102 unq 1 iso 0 dist 9.54857 8.07962 7.56811 8.58092 9.80678 9.01767 11.1118 5.54551 6.42572 7.36792 numMergedOcc 0
18 mol 102 unq 2 iso 0 dist 7.58908 9.32058 7.56811 12.5781 9.01767 9.80678 12.0912 6.42572 5.54551 7.36792 numMergedOcc 0
19 mol 102 unq 3 iso 0 dist 9.32058 7.58908 7.56811 12.5781 9.80678 9.01767 12.0912 5.54551 6.42572 7.36792 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 6.67306 9.2167 7.15643 8.8283 9.42766 11.7808 16.7151 14.0677 16.2277 8.73993 numMergedOcc 0
21 mol 197 unq 0 iso 0 dist 5.79753 8.47576 5.42954 13.0113 8.64255 13.0043 16.0185 11.8861 14.1319 8.56633 numMergedOcc 0
22 mol 197 unq 1 iso 0 dist 7.56537 9.89975 7.28269 4.57437 8.64255 10.499 12.5442 11.8861 14.6928 8.56633 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.91921 8.20243 4.85921 4.7157 9.31417 5.56719 6.2365 6.62361 5.96552 5.72887 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 8.20243 9.91921 4.85921 4.7157 5.56719 9.31417 6.2365 5.96552 6.62361 5.72887 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.22111 7.97113 4.70261 5.41945 7.93997 12.2198 10.5892 14.8465 18.5011 7.46176 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 8.53598 8.38479 4.70261 10.2837 7.93997 12.2198 13.5637 14.8465 18.5011 7.46176 numMergedOcc 0
