0 mol 14 unq 0 iso 0 dist 6.11408 5.35021 5.16461 8.54362 8.66151 11.4758 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.17979 5.94326 8.05216 5.03451 4.96019 6.16971 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 6.30589 8.71965 5.23686 8.98545 9.58275 13.034 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 4.70371 8.74807 11.7367 8.77395 8.20593 9.17803 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 4.70371 8.74807 11.7367 6.91288 6.20434 11.7107 numMergedOcc 0
5 mol 55 unq 2 iso 0 dist 4.70371 8.74807 11.7367 8.60087 9.61184 4.98995 numMergedOcc 0
6 mol 55 unq 3 iso 0 dist 4.70371 8.05456 5.50549 8.77395 8.20593 13.5038 numMergedOcc 0
7 mol 55 unq 4 iso 0 dist 4.70371 8.05456 5.50549 6.91288 6.20434 10.1196 numMergedOcc 0
8 mol 55 unq 5 iso 0 dist 4.70371 8.05456 5.50549 8.60087 9.61184 15.0174 numMergedOcc 0
9 mol 55 unq 6 iso 0 dist 8.74565 8.74807 5.43855 8.77395 13.1058 9.17803 numMergedOcc 0
10 mol 55 unq 7 iso 0 dist 8.74565 8.74807 5.43855 6.91288 14.3366 11.7107 numMergedOcc 0
11 mol 55 unq 8 iso 0 dist 8.74565 8.74807 5.43855 8.60087 9.31655 4.98995 numMergedOcc 0
12 mol 55 unq 9 iso 0 dist 8.74565 8.05456 15.5643 8.77395 13.1058 13.5038 numMergedOcc 0
13 mol 55 unq 10 iso 0 dist 8.74565 8.05456 15.5643 6.91288 14.3366 10.1196 numMergedOcc 0
14 mol 55 unq 11 iso 0 dist 8.74565 8.05456 15.5643 8.60087 9.31655 15.0174 numMergedOcc 0
15 mol 62 unq 0 iso 0 dist 7.30392 9.11976 14.7238 6.42645 13.0684 10.0397 numMergedOcc 0
16 mol 103 unq 0 iso 0 dist 5.72494 6.13194 11.0116 7.85115 11.4876 5.59536 numMergedOcc 0
17 mol 103 unq 1 iso 0 dist 8.70106 6.13194 13.5214 7.85115 11.2795 5.59536 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 8.54701 8.91758 6.16644 8.29395 5.43417 10.8072 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.76501 8.20024 4.25746 7.99127 7.57516 8.65995 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 9.76501 7.19059 8.05158 7.99127 7.57516 5.64264 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 8.80448 7.76167 8.44462 8.99827 9.26939 3.56704 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 8.80448 8.63766 7.06829 8.99827 9.26939 5.6048 numMergedOcc 0
23 mol 148 unq 2 iso 0 dist 8.80448 8.42082 13.2635 8.99827 9.26939 8.33576 numMergedOcc 0
24 mol 148 unq 3 iso 0 dist 8.60157 6.81055 13.8725 7.91749 3.54257 13.2009 numMergedOcc 0
25 mol 148 unq 4 iso 0 dist 6.72591 6.81055 11.2206 7.91749 8.03052 13.2009 numMergedOcc 0
26 mol 150 unq 0 iso 0 dist 8.78855 7.83202 8.51103 8.97634 9.29256 3.56413 numMergedOcc 0
27 mol 150 unq 1 iso 0 dist 8.78855 8.7107 7.13108 8.97634 9.29256 5.53516 numMergedOcc 0
28 mol 150 unq 2 iso 0 dist 8.78855 8.47493 13.2655 8.97634 9.29256 8.23832 numMergedOcc 0
29 mol 150 unq 3 iso 0 dist 8.59359 6.77966 13.845 7.96309 3.59609 13.2057 numMergedOcc 0
30 mol 150 unq 4 iso 0 dist 6.80192 6.77966 11.1844 7.96309 8.06512 13.2057 numMergedOcc 0
31 mol 182 unq 0 iso 0 dist 7.03216 5.16184 4.39505 8.43599 5.28013 7.27394 numMergedOcc 0
32 mol 182 unq 1 iso 0 dist 9.42196 5.16184 11.2827 8.43599 5.89583 7.27394 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 8.98221 9.11273 4.96821 7.93815 12.6927 10.8619 numMergedOcc 0
34 mol 192 unq 0 iso 0 dist 5.99974 7.00749 8.15721 7.20524 5.27339 4.51504 numMergedOcc 0
35 mol 250 unq 0 iso 0 dist 9.73318 8.95513 11.7643 8.45998 10.208 10.8577 numMergedOcc 0
36 mol 250 unq 1 iso 0 dist 5.75551 8.95513 5.64152 8.45998 8.59509 10.8577 numMergedOcc 0
37 mol 282 unq 0 iso 0 dist 6.15396 7.89956 4.44911 8.36459 4.4471 3.71871 numMergedOcc 0
38 mol 282 unq 1 iso 0 dist 9.18964 7.89956 9.11051 8.36459 10.1631 3.71871 numMergedOcc 0
39 mol 284 unq 0 iso 0 dist 5.62295 9.86647 15.479 4.69611 8.4652 9.61671 numMergedOcc 0
