0 mol 48 unq 0 iso 0 dist 8.06519 8.16033 7.12927 4.69243 8.87951 11.3406 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 4.22514 6.54052 5.01159 4.11549 6.29755 10.1502 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 4.22514 6.54052 5.01159 8.12687 7.4038 12.3954 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 7.31138 7.27852 11.086 4.37412 9.24998 11.3649 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.16429 9.52901 5.97632 10.4404 8.49115 12.7889 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 7.50959 8.65287 8.90781 4.66619 6.21554 11.2926 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.55581 9.68996 5.48979 6.14253 5.92836 10.5315 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 7.55581 9.68996 5.48979 4.88407 4.73804 9.14147 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 5.50402 6.41084 6.69013 9.75267 9.49584 13.3931 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 5.15834 6.07708 9.16343 6.2739 8.44321 8.14167 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 8.99149 5.87853 5.71112 16.8109 9.58817 12.8618 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 7.13192 6.77983 5.35985 3.79373 7.71716 9.16058 numMergedOcc 0
12 mol 193 unq 1 iso 0 dist 7.13192 7.06538 12.1335 3.79373 7.71716 9.39453 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 8.18287 9.639 9.89198 5.31923 8.59787 14.2387 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 9.69083 8.72409 5.52902 6.60289 9.42877 8.70049 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.85256 9.499 11.9194 4.72952 7.80073 5.95622 numMergedOcc 0
16 mol 255 unq 0 iso 0 dist 8.17286 8.33795 9.76349 4.52659 7.16286 8.88059 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 5.15432 6.35591 8.0692 9.70626 8.51994 15.5005 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.85872 8.58448 10.3593 9.44841 7.58907 15.47 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 8.85872 8.58448 10.3593 9.44841 7.58907 15.47 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 8.85872 8.58448 10.3593 9.44841 7.58907 15.47 numMergedOcc 0
