0 mol 33 unq 0 iso 0 dist 8.2525 8.78405 7.54108 10.008 9.3647 4.69548 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 9.72316 6.29622 7.17889 9.22395 6.82081 4.41085 numMergedOcc 0
2 mol 37 unq 1 iso 0 dist 9.72316 6.55499 8.38803 9.22395 6.82081 10.3951 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.93754 3.71335 6.69184 13.4621 6.7939 13.1841 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.93754 3.71335 6.69184 8.33212 8.44695 6.94793 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.93754 3.71335 6.69184 7.67132 5.68894 4.5646 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 4.65085 6.03473 8.92491 6.631 9.26231 9.81264 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 4.65085 6.68667 7.41861 6.631 9.26231 7.01534 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 9.59191 9.50488 5.61946 4.99202 4.82346 5.36117 numMergedOcc 0
9 mol 99 unq 1 iso 0 dist 9.59191 9.50488 5.61946 5.02594 8.07233 7.21001 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.49223 14.7723 8.75165 5.5056 8.88401 13.9402 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 7.45405 4.06023 4.77515 11.8442 8.57816 7.96992 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 5.99206 7.59533 9.56319 6.08772 5.92836 6.70307 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 5.99206 9.61802 9.73038 6.08772 5.92836 12.974 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 7.4615 15.3904 9.48694 6.08772 4.73804 10.8724 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 7.4615 7.59533 6.65267 6.08772 4.73804 6.70307 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 7.74832 9.02964 9.87968 9.35875 6.95133 6.21365 numMergedOcc 0
17 mol 172 unq 0 iso 0 dist 9.56872 10.3497 8.03804 9.57335 7.77643 8.4248 numMergedOcc 0
18 mol 172 unq 1 iso 0 dist 9.56872 10.3497 8.03804 5.65586 4.90175 8.74106 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 7.04107 4.73248 9.3777 8.47463 8.2817 5.76764 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 7.74806 5.19872 6.97662 4.07725 7.0412 5.60637 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.43397 10.7844 4.53228 14.9424 7.10828 4.53635 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 9.43397 10.2329 8.54078 14.9424 7.10828 9.93977 numMergedOcc 0
