0 mol 5 unq 0 iso 0 dist 9.13355 12.1084 9.22027 11.5915 7.50453 3.14155 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 8.09253 11.9658 7.14537 11.5593 6.77807 4.68389 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 8.09253 7.62587 9.39486 11.5593 6.77807 7.73435 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.45916 9.85963 8.69288 13.4799 8.85286 5.69207 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.45916 12.0268 7.77964 13.4799 8.85286 5.49307 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.89184 10.8339 7.53964 11.7495 6.51117 3.87762 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 7.89184 7.01089 5.76961 11.7495 6.51117 5.6003 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.78762 4.43742 9.08825 7.24635 5.45099 5.16522 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.78762 4.43742 9.08825 8.05782 8.44765 9.60553 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 9.78762 4.43742 9.08825 12.4827 9.06643 12.9855 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 9.71043 10.5129 7.20211 6.89822 9.54696 5.54238 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 9.71043 10.5129 7.20211 10.9616 4.62636 3.12382 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.49352 10.0187 5.78982 5.55879 4.94473 5.00648 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 9.07247 9.35176 4.61596 6.53883 5.23187 3.74437 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.12029 8.94768 8.5672 7.93285 9.17458 5.53349 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.12029 8.94768 8.5672 8.70013 7.36794 4.65666 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 8.56602 9.00121 5.67168 7.93285 6.94594 4.97041 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 8.56602 9.00121 5.67168 8.70013 5.81881 6.50779 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 9.85404 18.8265 9.91727 11.2214 9.75417 13.1522 numMergedOcc 0
19 mol 207 unq 0 iso 0 dist 9.93721 9.3941 4.76113 6.78639 7.30153 4.67727 numMergedOcc 0
20 mol 207 unq 1 iso 0 dist 6.29106 4.60219 4.76113 6.22421 7.30153 4.67727 numMergedOcc 0
21 mol 217 unq 0 iso 0 dist 4.92885 6.80103 9.37602 4.84502 6.19602 10.2731 numMergedOcc 0
22 mol 217 unq 1 iso 0 dist 4.92885 6.6318 8.26522 4.84502 6.19602 4.56185 numMergedOcc 0
23 mol 222 unq 0 iso 0 dist 8.51427 13.4195 8.14294 9.2281 8.88902 10.1968 numMergedOcc 0
24 mol 251 unq 0 iso 0 dist 7.95984 15.8821 9.02417 15.3453 7.72528 3.45567 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 7.05095 8.52745 9.78237 12.4866 8.55386 13.7354 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 7.05095 5.39798 9.70101 12.4866 8.55386 11.1654 numMergedOcc 0
27 mol 264 unq 2 iso 0 dist 7.05095 4.96942 9.95798 12.4866 8.55386 14.8609 numMergedOcc 0
