0 mol 14 unq 0 iso 0 dist 8.82819 6.03847 9.7022 5.99703 5.67201 9.04767 5.82278 10.9341 4.75873 7.73217 numMergedOcc 0
1 mol 14 unq 0 iso 1 dist 7.73217 4.75873 9.04767 10.9341 5.67201 9.7022 5.82278 5.99703 6.03847 8.82819 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 5.36937 6.03847 9.58196 5.99703 4.53725 9.04767 5.82278 9.95397 4.75873 7.73217 numMergedOcc 0
3 mol 14 unq 1 iso 1 dist 7.73217 4.75873 9.04767 9.95397 4.53725 9.58196 5.82278 5.99703 6.03847 5.36937 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.03754 13.1056 6.20293 10.5813 6.45462 8.93915 14.8405 12.0919 9.92508 9.47348 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 9.47348 9.92508 8.93915 12.0919 6.45462 6.20293 14.8405 10.5813 13.1056 8.03754 numMergedOcc 0
6 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 10.8421 6.54743 6.65595 15.09 13.4319 9.28444 7.15352 numMergedOcc 0
7 mol 60 unq 0 iso 1 dist 7.15352 9.28444 6.65595 13.4319 6.54743 8.90863 15.09 10.8421 9.47656 7.7654 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 11.1764 5.88134 6.65086 14.927 12.7823 6.60925 9.22737 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 9.22737 6.60925 6.65086 12.7823 5.88134 9.60661 14.927 11.1764 14.9329 7.689 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 7.689 10.3954 9.35224 11.1764 5.88134 6.56369 14.927 12.7823 4.95357 9.22737 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 9.22737 4.95357 6.56369 12.7823 5.88134 9.35224 14.927 11.1764 10.3954 7.689 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.97762 9.74121 6.29155 16.5229 11.965 8.00618 15.6575 15.8406 9.67676 9.47554 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 9.47554 9.67676 8.00618 15.8406 11.965 6.29155 15.6575 16.5229 9.74121 8.97762 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 8.86784 6.65283 6.49416 15.1513 8.80819 8.94367 14.6333 11.0053 10.0911 9.16358 numMergedOcc 0
15 mol 134 unq 0 iso 1 dist 9.16358 10.0911 8.94367 11.0053 8.80819 6.49416 14.6333 15.1513 6.65283 8.86784 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.86784 6.65283 6.49416 11.3169 5.00817 6.37586 14.6333 11.0053 10.0911 6.48328 numMergedOcc 0
17 mol 134 unq 1 iso 1 dist 6.48328 10.0911 6.37586 11.0053 5.00817 6.49416 14.6333 11.3169 6.65283 8.86784 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 8.11407 7.72969 7.7366 8.95375 5.63422 9.774 14.614 11.3921 9.9578 9.29007 numMergedOcc 0
19 mol 206 unq 0 iso 1 dist 9.29007 9.9578 9.774 11.3921 5.63422 7.7366 14.614 8.95375 7.72969 8.11407 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 18.1901 12.4689 7.55216 19.0263 15.8356 9.775 9.78611 numMergedOcc 0
21 mol 227 unq 0 iso 1 dist 9.78611 9.775 7.55216 15.8356 12.4689 7.22101 19.0263 18.1901 10.9396 8.27093 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 9.02226 10.9396 8.65997 18.1901 12.9332 7.55216 19.0263 18.3506 9.775 9.78611 numMergedOcc 0
23 mol 227 unq 1 iso 1 dist 9.78611 9.775 7.55216 18.3506 12.9332 8.65997 19.0263 18.1901 10.9396 9.02226 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 6.61371 5.03564 6.84306 14.1598 11.3368 9.99038 16.4463 12.0498 13.6195 5.90804 numMergedOcc 0
25 mol 236 unq 0 iso 1 dist 5.90804 13.6195 9.99038 12.0498 11.3368 6.84306 16.4463 14.1598 5.03564 6.61371 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 6.61371 9.63949 7.68742 14.1598 11.3368 6.27581 16.4463 12.0498 7.45579 5.90804 numMergedOcc 0
27 mol 236 unq 1 iso 1 dist 5.90804 7.45579 6.27581 12.0498 11.3368 7.68742 16.4463 14.1598 9.63949 6.61371 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 9.77784 5.09097 7.73141 5.00128 10.1239 8.43057 7.14146 15.9156 11.9784 6.58604 numMergedOcc 0
29 mol 261 unq 0 iso 1 dist 6.58604 11.9784 8.43057 15.9156 10.1239 7.73141 7.14146 5.00128 5.09097 9.77784 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.77784 5.09097 7.73141 5.00128 10.1239 8.43057 8.24663 16.5234 11.6843 7.30472 numMergedOcc 0
31 mol 261 unq 1 iso 1 dist 7.30472 11.6843 8.43057 16.5234 10.1239 7.73141 8.24663 5.00128 5.09097 9.77784 numMergedOcc 0
