0 mol 14 unq 0 iso 0 dist 6.11408 8.54362 8.66151 5.80918 8.51178 8.23238 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 9.48375 8.16102 16.7495 12.1866 21.2981 8.05628 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 6.85127 8.16102 12.314 12.1866 17.5603 8.05628 numMergedOcc 0
3 mol 27 unq 2 iso 0 dist 8.58169 8.16102 6.16154 12.1866 13.6821 8.05628 numMergedOcc 0
4 mol 36 unq 0 iso 0 dist 8.9566 8.61422 6.03866 5.57356 5.83354 8.97567 numMergedOcc 0
5 mol 36 unq 1 iso 0 dist 9.98689 8.9353 8.02028 6.76635 8.47497 9.96441 numMergedOcc 0
6 mol 36 unq 2 iso 0 dist 4.10339 6.6055 6.03866 5.19317 5.83354 8.97567 numMergedOcc 0
7 mol 55 unq 0 iso 0 dist 4.70371 8.77395 8.20593 9.62261 12.4207 9.07741 numMergedOcc 0
8 mol 55 unq 1 iso 0 dist 4.70371 6.91288 6.20434 9.62261 12.4207 8.0388 numMergedOcc 0
9 mol 55 unq 2 iso 0 dist 4.70371 8.60087 9.61184 9.62261 12.4207 9.7883 numMergedOcc 0
10 mol 55 unq 3 iso 0 dist 8.74565 8.77395 13.1058 9.62261 13.2349 9.07741 numMergedOcc 0
11 mol 55 unq 4 iso 0 dist 8.74565 6.91288 14.3366 9.62261 13.2349 8.0388 numMergedOcc 0
12 mol 55 unq 5 iso 0 dist 8.74565 8.60087 9.31655 9.62261 13.2349 9.7883 numMergedOcc 0
13 mol 62 unq 0 iso 0 dist 7.30392 6.42645 13.0684 9.07371 13.9736 9.52356 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 8.80448 8.99827 9.26939 6.5387 11.5718 7.53552 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 8.78855 8.97634 9.29256 6.67151 11.6459 7.49948 numMergedOcc 0
16 mol 165 unq 0 iso 0 dist 3.87901 6.74196 4.89071 9.24409 8.2197 5.03758 numMergedOcc 0
17 mol 165 unq 1 iso 0 dist 5.04534 6.72652 4.89071 6.58447 8.2197 5.03758 numMergedOcc 0
18 mol 165 unq 2 iso 0 dist 5.04534 6.4503 6.22764 6.58447 8.2197 4.63353 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 9.88342 6.24232 9.69599 8.27929 16.72 7.93917 numMergedOcc 0
20 mol 168 unq 1 iso 0 dist 9.58783 8.1953 16.4635 9.98174 16.3997 7.93917 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 9.0757 8.20517 4.75805 16.3549 9.45847 8.98606 numMergedOcc 0
22 mol 184 unq 1 iso 0 dist 9.39563 9.15923 4.75805 3.95306 9.45847 8.98606 numMergedOcc 0
23 mol 184 unq 2 iso 0 dist 7.51045 6.03505 4.75805 9.14602 9.45847 8.98606 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.98221 7.93815 12.6927 9.13263 16.9997 8.51947 numMergedOcc 0
25 mol 254 unq 0 iso 0 dist 9.73281 8.4346 11.7618 4.48859 10.7657 9.70628 numMergedOcc 0
26 mol 254 unq 1 iso 0 dist 9.73281 7.97728 11.7378 4.48859 10.7657 7.98511 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 9.03396 6.41777 4.39911 9.64395 12.5449 8.26827 numMergedOcc 0
28 mol 285 unq 1 iso 0 dist 9.03396 6.41777 4.39911 6.59466 8.08495 7.9002 numMergedOcc 0
29 mol 285 unq 2 iso 0 dist 4.09984 6.41777 5.42273 9.64395 8.70702 8.26827 numMergedOcc 0
30 mol 285 unq 3 iso 0 dist 4.09984 6.41777 5.42273 6.59466 9.3482 7.9002 numMergedOcc 0
