0 mol 25 unq 0 iso 0 dist 5.46378 8.69224 4.60034 6.44262 7.685 7.03372 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 4.31912 8.35776 4.84198 10.2135 8.68559 8.91596 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.00967 7.73997 4.74211 7.92237 7.41857 10.8878 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.97598 8.57479 3.99025 4.31214 8.66514 9.07128 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 7.44647 5.43098 3.77436 9.86323 9.25235 6.65615 numMergedOcc 0
5 mol 88 unq 2 iso 0 dist 7.44647 9.40555 8.38696 9.86323 9.25235 15.7568 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.79724 8.11993 9.67572 15.6816 8.39016 16.2909 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 8.79724 8.11993 9.67572 10.7007 6.99355 15.0154 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 7.77845 6.38269 5.09579 11.224 6.81812 9.4359 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 7.77845 7.11196 5.46299 11.224 6.81812 11.2964 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 8.50045 8.18193 6.52215 10.0998 6.73814 9.20432 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 9.31512 8.18193 17.3211 6.6622 6.96442 14.244 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.96357 4.60192 4.18875 7.23362 7.20326 7.42146 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 6.47176 6.32254 6.33976 7.68038 8.61331 9.66404 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 8.92131 8.89556 6.33976 4.68256 8.61331 9.66404 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 6.00248 8.26077 4.87462 10.7804 9.27478 11.9848 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 7.62634 9.3032 13.3106 5.69334 6.47873 9.52922 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 7.62634 9.3032 13.3106 13.4175 8.38695 14.7929 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 8.33529 7.9475 4.40718 10.9904 8.50864 7.79063 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 6.61098 8.26228 3.93329 15.2943 9.5784 11.8278 numMergedOcc 0
