0 mol 17 unq 0 iso 0 dist 8.7483 6.84727 7.41835 8.44037 4.12287 5.09467 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.74311 5.9948 11.8164 6.76158 4.50098 11.7233 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.74311 5.9948 11.8164 7.423 8.14695 13.0183 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.74311 5.9948 11.8164 5.89257 9.01546 10.9699 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 5.41906 7.19406 4.76522 7.12713 8.59614 9.83606 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.81779 7.55854 11.7708 9.29102 9.96223 3.60325 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 8.10093 5.48669 3.70978 8.30446 5.19478 3.60325 numMergedOcc 0
7 mol 70 unq 0 iso 0 dist 9.50682 7.83864 8.11301 9.55065 11.5398 3.50148 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.65864 9.0101 9.02965 8.26805 14.3512 9.68005 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 8.65864 9.0101 9.02965 9.68577 18.0887 14.6547 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 9.67536 8.08891 15.867 8.89556 17.8355 3.58164 numMergedOcc 0
11 mol 176 unq 1 iso 0 dist 9.25815 8.08891 15.9203 8.89556 17.5881 3.58164 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.09552 9.75853 8.912 7.82717 8.15238 3.42324 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 9.09552 9.75853 8.912 8.19926 3.98361 8.26669 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 9.09552 9.75853 8.912 9.02402 13.4808 14.845 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 8.52941 8.45366 11.7358 8.26077 9.72524 3.86201 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.96332 9.22999 5.94358 9.54857 7.86323 3.95588 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 8.96332 9.22999 5.94358 8.73456 6.76635 5.73222 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 5.73488 9.60654 12.0928 7.22151 8.58432 3.90226 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 5.73488 7.11262 5.21233 7.22151 8.58432 6.59432 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 9.10682 5.03174 8.12478 8.26228 12.9881 5.51231 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 9.10682 9.51483 11.3988 9.05194 11.3526 4.95134 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 9.10682 9.51483 11.3988 9.02526 8.93485 4.79249 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 7.60952 9.51483 5.74965 9.05194 6.26054 4.95134 numMergedOcc 0
24 mol 264 unq 4 iso 0 dist 7.60952 9.51483 5.74965 9.02526 3.81537 4.79249 numMergedOcc 0
