0 mol 25 unq 0 iso 0 dist 9.86224 7.52416 6.69002 16.5113 6.85556 11.8565 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.20373 8.97716 5.7405 15.0205 6.14538 10.4238 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 9.67641 12.9715 6.58279 7.70042 9.49144 8.69921 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.1754 5.22656 9.1593 7.77542 7.80975 12.3004 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 7.1754 5.22656 9.1593 11.0907 7.10378 10.9755 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.21645 5.94065 5.58734 11.6494 8.00003 6.83988 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 6.87196 8.28869 5.96506 5.25879 8.78276 6.33857 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 6.87196 8.28869 5.96506 5.26656 7.88805 5.72266 numMergedOcc 0
8 mol 130 unq 2 iso 0 dist 6.87196 8.28869 5.96506 10.9365 7.96646 5.15286 numMergedOcc 0
9 mol 130 unq 3 iso 0 dist 6.87196 8.28869 5.96506 10.6181 7.90048 5.96312 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.93309 4.83663 5.80404 10.4303 9.22232 6.80292 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.24709 5.89191 8.44423 7.11513 9.14926 6.74268 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.24709 6.08258 6.16169 7.11513 9.14926 5.11151 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 9.18176 11.1431 9.62138 5.14109 6.46461 12.9372 numMergedOcc 0
14 mol 152 unq 1 iso 0 dist 9.18176 6.51929 5.11444 5.14109 6.46461 7.24951 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 6.00295 4.67196 8.60394 9.26251 8.73722 7.05464 numMergedOcc 0
16 mol 156 unq 1 iso 0 dist 6.10069 4.91642 7.70894 5.84808 6.30021 6.2089 numMergedOcc 0
17 mol 156 unq 2 iso 0 dist 6.10069 4.91642 7.70894 9.92385 9.47433 11.8579 numMergedOcc 0
18 mol 156 unq 3 iso 0 dist 6.40435 13.5806 9.6281 11.0374 9.44367 5.0966 numMergedOcc 0
19 mol 156 unq 4 iso 0 dist 6.40435 13.5806 9.6281 9.75709 7.90267 5.75141 numMergedOcc 0
20 mol 156 unq 5 iso 0 dist 6.40435 4.87536 6.22667 11.0374 9.44367 9.07974 numMergedOcc 0
21 mol 156 unq 6 iso 0 dist 6.40435 4.87536 6.22667 9.75709 7.90267 5.70205 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.58118 11.0161 9.05637 5.1021 6.59716 6.24624 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 6.82883 16.1524 9.61639 12.6212 8.80683 9.11816 numMergedOcc 0
24 mol 226 unq 1 iso 0 dist 6.82883 16.1524 9.61639 10.78 6.11704 6.92489 numMergedOcc 0
25 mol 226 unq 2 iso 0 dist 8.22518 15.429 9.61639 9.83787 8.80683 9.11816 numMergedOcc 0
26 mol 226 unq 3 iso 0 dist 8.22518 15.429 9.61639 11.3247 6.11704 6.92489 numMergedOcc 0
27 mol 226 unq 4 iso 0 dist 6.02803 5.77365 9.61639 6.6871 8.80683 9.11816 numMergedOcc 0
28 mol 226 unq 5 iso 0 dist 6.02803 5.77365 9.61639 6.19485 6.11704 6.92489 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 9.90065 13.2881 8.61546 9.69354 7.43071 14.5234 numMergedOcc 0
30 mol 227 unq 1 iso 0 dist 9.90065 13.2881 8.61546 7.00512 6.02296 13.552 numMergedOcc 0
31 mol 248 unq 0 iso 0 dist 8.80866 8.02302 8.53033 5.44123 7.16525 6.12544 numMergedOcc 0
32 mol 271 unq 0 iso 0 dist 8.7861 8.45553 5.70063 13.7565 8.98576 5.6441 numMergedOcc 0
33 mol 271 unq 1 iso 0 dist 8.7861 8.45553 5.70063 8.68222 8.92636 5.0976 numMergedOcc 0
