0 mol 18 unq 0 iso 0 dist 6.39307 4.49033 5.04478 12.7898 11.0746 8.80193 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.90986 6.77783 9.06516 8.99751 5.29055 6.15893 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.90986 6.77783 9.06516 9.44507 4.76998 5.497 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.22183 4.82659 6.79475 8.25567 6.64374 6.15893 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.22183 4.82659 6.79475 9.63543 5.39199 5.497 numMergedOcc 0
5 mol 27 unq 0 iso 0 dist 6.56549 6.72058 6.78936 13.5689 10.8132 8.71752 numMergedOcc 0
6 mol 27 unq 1 iso 0 dist 6.56549 6.72058 6.78936 14.1556 13.4461 7.60283 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 9.81143 14.4774 7.79336 15.0961 7.68459 8.90835 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 9.78839 14.4774 7.08559 15.0961 5.70782 8.90835 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 8.0072 5.14132 7.29079 5.31016 4.23447 6.73801 numMergedOcc 0
10 mol 41 unq 1 iso 0 dist 8.0072 5.14132 7.29079 9.57818 11.5146 6.42834 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 8.69574 6.13812 5.81001 10.7145 4.06745 5.55096 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 9.01601 15.5086 8.35444 22.7673 14.2005 9.52272 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.33961 4.45424 4.44979 8.55509 3.92737 6.0129 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 8.3505 12.8333 6.61111 10.9995 3.94967 6.0129 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 9.29816 9.31771 4.44979 12.4401 3.92737 6.0129 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 5.08983 9.47873 4.44979 5.94696 3.92737 6.0129 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 8.42219 10.3316 8.0168 10.2513 10.3264 7.70313 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 5.90003 6.02826 6.55202 8.4733 10.3622 7.26955 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 8.78303 11.5532 7.43401 11.9876 6.93712 8.55616 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 9.13697 5.90631 5.52149 5.49198 6.06606 6.93279 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 6.48993 4.0737 7.30954 9.14629 5.95858 7.80054 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 7.30338 6.39941 7.06851 8.90876 4.02702 7.60254 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 9.48766 4.04021 9.32333 8.13947 5.66395 9.82588 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 8.79884 4.18393 7.79951 11.2718 12.8337 7.57454 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.99194 4.81145 8.69525 11.9862 15.3328 8.09718 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 9.99194 4.81145 8.69525 11.4318 10.3346 6.73446 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 8.90398 4.47425 8.71497 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 4.97796 5.95459 6.66172 6.83113 5.39432 9.20749 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 7.59142 6.7711 6.0283 13.1175 9.85432 9.24367 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 7.78796 7.69175 6.1905 6.60049 3.92782 5.7131 numMergedOcc 0
