0 mol 14 unq 0 iso 0 dist 8.82819 6.03847 9.7022 5.99703 5.67201 9.04767 6.45626 14.3883 10.6873 9.58855 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 5.36937 6.03847 9.58196 5.99703 4.53725 9.04767 6.45626 10.3349 10.6873 9.58855 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 13.3505 7.67038 4.54938 15.8687 10.1882 5.18512 6.92532 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 16.7413 10.3915 7.82074 15.8687 10.1882 5.18512 6.36455 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 13.3505 7.67038 6.864 15.8687 10.1882 9.47529 6.92532 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.0319 11.4109 6.86014 15.5112 10.0952 8.86116 17.188 10.7114 6.58998 6.72502 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 12.7352 5.06502 5.73819 17.4354 10.0649 5.48048 8.44903 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 9.47348 9.92508 8.93915 12.0317 5.89973 5.73819 14.7712 13.5072 5.48048 8.44903 numMergedOcc 0
8 mol 60 unq 0 iso 0 dist 7.15352 9.28444 6.65595 13.4319 6.54743 8.90863 13.6026 10.0962 13.0114 8.82176 numMergedOcc 0
9 mol 60 unq 1 iso 0 dist 7.15352 4.80738 6.43294 12.4311 10.1562 8.33063 13.6026 10.0962 9.62257 9.96399 numMergedOcc 0
10 mol 60 unq 2 iso 0 dist 7.15352 4.80738 6.43294 11.7612 5.67502 8.7531 13.6026 10.0962 9.62257 7.55695 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 12.4685 8.02349 6.11741 11.4351 10.9766 6.08806 5.74857 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 7.9258 4.75197 5.83991 12.4685 8.02349 7.88312 11.4351 10.9766 7.21418 5.74857 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.47554 9.67676 8.00618 15.8406 11.965 6.29155 11.8704 10.5656 5.74088 6.76699 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 15.6559 13.846 9.4027 8.20836 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 15.33 13.9396 8.46636 5.53031 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 6.48328 10.0911 6.37586 9.16358 5.49782 8.94367 11.868 10.873 9.4027 8.20836 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 15.33 10.1537 8.46636 5.53031 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 6.48328 9.66197 9.71307 9.16358 5.49782 9.86662 11.868 10.873 5.12325 8.20836 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.41774 13.793 6.70283 13.7313 5.42328 5.87555 17.8722 10.4911 5.59336 8.35555 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 8.41774 11.2124 7.16148 13.7313 5.42328 8.87437 17.8722 10.4911 10.9728 8.35555 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 9.80543 7.38516 6.03031 6.95682 5.60393 5.28092 8.44861 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 8.95375 5.63422 9.774 11.157 12.3357 9.9412 8.70977 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 9.02226 5.22356 8.65997 5.86596 8.38865 11.0628 5.4694 numMergedOcc 0
24 mol 227 unq 1 iso 0 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 21.3872 16.0894 10.6244 5.87815 numMergedOcc 0
25 mol 227 unq 2 iso 0 dist 9.02226 10.9396 8.65997 8.27093 5.22356 7.22101 5.86596 5.4694 11.0628 8.38865 numMergedOcc 0
26 mol 227 unq 3 iso 0 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 21.3872 17.8603 10.6244 5.87815 numMergedOcc 0
27 mol 227 unq 4 iso 0 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 20.5538 16.9219 11.0628 8.38865 numMergedOcc 0
28 mol 227 unq 5 iso 0 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 20.5538 16.9219 11.0628 5.4694 numMergedOcc 0
29 mol 229 unq 0 iso 0 dist 8.68804 6.36273 9.06952 11.2048 6.84129 7.03423 12.0548 9.45972 9.62106 8.92743 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 5.46736 4.93623 6.56247 10.8568 5.88703 9.45496 9.52353 8.24186 5.63086 7.5366 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 5.46736 11.7817 9.36357 10.8568 5.88703 6.7625 9.52353 8.24186 5.6819 7.5366 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 8.82388 9.65021 8.31064 14.3398 8.02948 6.73034 14.7089 13.1441 6.89124 9.66465 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 10.0402 7.00201 9.14619 7.43942 8.60026 6.04016 5.26434 numMergedOcc 0
