0 mol 7 unq 0 iso 0 dist 6.8464 11.4481 7.88043 10.1033 7.78327 10.6558 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.8464 13.9708 8.80762 10.1033 7.78327 13.5227 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.89519 8.18219 9.27637 4.07023 6.11048 6.00657 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.80897 16.1274 8.44506 4.28862 7.98005 12.4814 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.80897 16.1274 8.44506 4.93643 8.31381 15.4838 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.37225 13.0741 8.44506 5.34503 7.98005 12.4814 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.37225 13.0741 8.44506 4.74002 8.31381 15.4838 numMergedOcc 0
7 mol 38 unq 0 iso 0 dist 9.30722 5.85014 7.57959 9.57959 7.68478 8.44315 numMergedOcc 0
8 mol 38 unq 1 iso 0 dist 9.30722 9.79259 7.05737 9.57959 7.68478 4.841 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.67557 7.39648 7.33422 4.21164 8.04242 9.09756 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 7.11695 10.9332 6.61823 4.56304 8.85601 13.129 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 7.11695 8.98815 6.49956 4.56304 8.85601 12.8901 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 8.32426 10.2408 8.38738 6.32469 9.90947 15.2764 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 8.32426 10.2408 8.38738 5.57089 8.16252 12.99 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 9.63185 6.80181 4.92088 11.1931 4.72821 8.56547 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.51951 6.95682 5.60393 11.1775 7.13783 12.0319 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 8.95375 11.157 8.70977 3.98316 6.23183 11.5047 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 9.29007 7.41593 8.70977 13.2719 6.23183 11.5047 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 6.13878 9.83001 5.37446 6.59517 6.85824 7.61953 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.69358 11.2853 8.15467 6.09845 7.12221 8.34189 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 7.69358 11.2853 8.15467 11.3756 5.4557 10.6472 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 7.00833 7.43942 8.60026 4.80385 8.24356 11.1232 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.88221 5.53273 7.52109 4.66969 8.12739 8.96388 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 8.88221 5.53273 7.52109 5.69247 6.09853 6.75363 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 8.88221 10.3605 7.44083 4.66969 8.12739 12.596 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 8.88221 10.3605 7.44083 5.69247 6.09853 8.42538 numMergedOcc 0
26 mol 274 unq 4 iso 0 dist 9.65027 8.13026 7.52109 12.3693 8.12739 8.96388 numMergedOcc 0
27 mol 274 unq 5 iso 0 dist 9.65027 8.13026 7.52109 6.93195 6.09853 6.75363 numMergedOcc 0
28 mol 274 unq 6 iso 0 dist 9.65027 5.99306 7.44083 12.3693 8.12739 12.596 numMergedOcc 0
29 mol 274 unq 7 iso 0 dist 9.65027 5.99306 7.44083 6.93195 6.09853 8.42538 numMergedOcc 0
30 mol 278 unq 0 iso 0 dist 6.84604 5.02589 7.67245 4.53664 5.35705 5.78276 numMergedOcc 0
