0 mol 11 unq 0 iso 0 dist 5.95165 9.80646 6.84216 12.1386 8.05213 4.79838 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 9.79134 8.01262 11.3941 7.27724 5.67087 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 5.7435 8.98102 6.58046 11.7938 7.85924 5.25331 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 4.88613 6.09663 7.17488 11.074 7.05413 8.98478 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.00229 4.82623 8.30217 8.17564 14.9359 7.92479 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.91902 8.04676 9.28702 13.6459 6.84152 9.51134 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.23023 15.9532 7.91148 13.8574 4.92509 7.03887 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.23023 14.6188 6.59794 13.8574 4.92509 5.36451 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 9.23023 15.1992 8.34957 13.8574 4.92509 9.28354 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 9.72689 3.48087 9.07128 6.98838 5.90098 6.1847 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 9.72689 10.0091 6.65615 6.98838 5.90098 4.70557 numMergedOcc 0
11 mol 88 unq 2 iso 0 dist 9.72689 10.0091 6.65615 16.3169 6.95868 9.08952 numMergedOcc 0
12 mol 88 unq 3 iso 0 dist 7.74197 12.4888 9.07128 9.94935 5.90098 6.1847 numMergedOcc 0
13 mol 88 unq 4 iso 0 dist 7.74197 6.15983 6.65615 9.94935 5.90098 4.70557 numMergedOcc 0
14 mol 88 unq 5 iso 0 dist 7.74197 6.15983 6.65615 5.82918 6.95868 9.08952 numMergedOcc 0
15 mol 88 unq 6 iso 0 dist 7.86537 6.15983 5.07548 9.94935 4.58465 4.70557 numMergedOcc 0
16 mol 88 unq 7 iso 0 dist 7.86537 6.15983 5.07548 5.82918 6.97239 9.08952 numMergedOcc 0
17 mol 123 unq 0 iso 0 dist 8.67193 12.0363 8.111 19.7297 12.8359 8.53618 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.30654 9.81306 8.99891 10.2332 5.44503 8.08798 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 9.93555 3.47453 8.89394 8.46844 5.83431 5.97134 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 8.58906 3.47137 9.32259 9.00025 13.909 7.6077 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.58911 3.55808 9.70481 5.41368 5.88819 7.61421 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 9.84952 3.59953 8.29467 6.17129 6.7991 6.91878 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 8.3337 3.70636 9.23086 10.7619 5.2908 9.77656 numMergedOcc 0
24 mol 197 unq 1 iso 0 dist 5.41292 3.70636 8.37086 10.7619 10.5397 9.77656 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 8.5119 8.65933 6.09255 12.8903 4.54272 9.39609 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 7.73315 14.9642 7.84952 12.023 7.47048 8.5244 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.11256 3.76405 8.08965 8.19915 4.65302 9.11149 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 7.08539 12.0808 8.08965 10.8124 4.65302 9.11149 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.12507 10.6139 9.18798 10.5745 4.99891 8.22608 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.12507 9.58753 8.25897 10.5745 4.99891 5.23503 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 9.12507 9.58753 8.25897 8.46351 5.32839 9.61028 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 8.11838 4.20802 5.72327 12.2739 8.91002 8.13595 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 7.88897 4.20802 5.81301 12.2739 8.34559 8.13595 numMergedOcc 0
