0 mol 52 unq 0 iso 0 dist 8.72923 9.79797 5.14633 9.50457 12.0069 9.12226 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 6.68656 9.46119 5.14633 10.4754 12.0069 9.12226 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 6.02731 5.6359 4.09232 11.4221 7.56205 9.69044 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 6.02731 5.6359 4.09232 4.05764 4.74544 6.9103 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.86118 5.35145 5.26394 6.45647 11.6703 8.3733 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.16338 8.85892 9.38626 11.4473 14.0067 8.72682 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 6.65318 5.15951 7.60413 7.41993 13.0672 7.86666 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 6.65318 5.15951 7.60413 13.345 11.8965 9.77497 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.21272 8.25027 16.0555 4.28997 11.9257 7.22643 numMergedOcc 0
9 mol 146 unq 0 iso 0 dist 6.28491 8.82192 8.9669 7.05046 12.2161 9.04757 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.89987 9.24772 6.39406 7.89844 6.2479 9.76212 numMergedOcc 0
11 mol 181 unq 1 iso 0 dist 9.89987 9.24772 6.39406 5.10258 6.22122 8.59874 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.28099 5.09756 4.03697 5.01462 10.6519 8.90571 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 8.28099 5.09756 4.03697 6.15341 8.73217 6.61112 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.81874 9.06892 4.00869 10.0163 9.8062 6.74196 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 9.55314 8.54373 9.60662 10.362 9.8062 8.36842 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 7.33147 8.54373 7.13962 10.362 10.6381 8.36842 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.97204 8.55819 18.1408 5.30529 13.5659 6.99769 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 9.97204 8.55819 18.1408 10.5504 16.7654 8.79428 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 9.97204 8.55819 18.1408 12.7033 20.2418 6.8692 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 7.24253 6.02146 12.4661 11.8651 16.882 8.67156 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 7.83742 6.02146 7.64155 11.8651 14.6936 8.67156 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.98231 9.93282 4.47425 5.69584 7.08526 5.85442 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.98231 9.93282 4.47425 15.3167 10.4552 6.9899 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 9.98231 8.90555 4.10176 6.00315 7.98231 9.46361 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 9.98231 8.90555 4.10176 5.69584 7.08526 6.95511 numMergedOcc 0
