0 mol 11 unq 0 iso 0 dist 6.84216 8.68293 14.8738 8.05213 4.79838 16.1955 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 8.01262 6.58046 13.3327 7.27724 5.67087 10.4826 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.58046 8.01262 13.3327 7.85924 5.25331 15.2717 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.15542 8.89047 6.87266 4.84988 8.44353 6.11249 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.15542 8.89003 4.62605 4.84988 8.44353 7.86326 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 8.89047 7.15542 6.87266 4.84988 6.11249 8.44353 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 8.89047 8.89003 3.23184 4.84988 6.11249 7.86326 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 8.89003 7.15542 4.62605 4.84988 7.86326 8.44353 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 8.89003 8.89047 3.23184 4.84988 7.86326 6.11249 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 8.34191 6.39747 5.96988 4.55117 8.88313 5.48837 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 8.34191 6.39747 5.96988 5.64209 7.07522 9.15753 numMergedOcc 0
11 mol 58 unq 2 iso 0 dist 6.39747 8.34191 5.96988 4.55117 5.48837 8.88313 numMergedOcc 0
12 mol 58 unq 3 iso 0 dist 6.39747 8.34191 5.96988 5.64209 9.15753 7.07522 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 7.91148 6.59794 3.24688 4.92509 7.03887 5.36451 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 7.91148 8.34957 4.60796 4.92509 7.03887 9.28354 numMergedOcc 0
15 mol 78 unq 2 iso 0 dist 6.59794 7.91148 3.24688 4.92509 5.36451 7.03887 numMergedOcc 0
16 mol 78 unq 3 iso 0 dist 6.59794 8.34957 7.19832 4.92509 5.36451 9.28354 numMergedOcc 0
17 mol 78 unq 4 iso 0 dist 8.34957 7.91148 4.60796 4.92509 9.28354 7.03887 numMergedOcc 0
18 mol 78 unq 5 iso 0 dist 8.34957 6.59794 7.19832 4.92509 9.28354 5.36451 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 5.25027 4.37025 5.30569 7.50972 7.90338 7.08462 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 4.37025 5.25027 5.30569 7.50972 7.08462 7.90338 numMergedOcc 0
21 mol 85 unq 0 iso 0 dist 7.69926 5.85237 2.58673 10.7963 5.61151 6.54289 numMergedOcc 0
22 mol 85 unq 1 iso 0 dist 5.85237 7.69926 2.58673 10.7963 6.54289 5.61151 numMergedOcc 0
23 mol 85 unq 2 iso 0 dist 5.85237 7.69926 2.58673 4.83769 7.52869 9.18895 numMergedOcc 0
24 mol 85 unq 3 iso 0 dist 5.85237 7.69926 2.58673 6.24888 9.18945 9.58605 numMergedOcc 0
25 mol 88 unq 0 iso 0 dist 9.07128 6.65615 7.57886 5.90098 6.1847 4.70557 numMergedOcc 0
26 mol 88 unq 1 iso 0 dist 6.65615 9.07128 7.57886 5.90098 4.70557 6.1847 numMergedOcc 0
27 mol 88 unq 2 iso 0 dist 6.65615 9.07128 7.57886 6.95868 9.08952 15.0007 numMergedOcc 0
28 mol 111 unq 0 iso 0 dist 5.98809 9.06601 8.72808 7.59143 7.75479 12.2574 numMergedOcc 0
29 mol 127 unq 0 iso 0 dist 5.39356 9.92746 10.4915 4.77464 7.79077 14.5349 numMergedOcc 0
30 mol 147 unq 0 iso 0 dist 6.73617 9.03544 3.6066 6.02355 9.23589 9.22196 numMergedOcc 0
31 mol 147 unq 1 iso 0 dist 9.03544 6.73617 3.6066 6.02355 9.22196 9.23589 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 6.79114 7.59457 6.01609 7.86749 9.70169 10.0435 numMergedOcc 0
33 mol 218 unq 0 iso 0 dist 6.09255 6.1896 6.94905 4.54272 9.39609 10.3208 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 9.18798 8.25897 4.6865 4.99891 8.22608 5.23503 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 8.25897 9.18798 4.6865 4.99891 5.23503 8.22608 numMergedOcc 0
36 mol 259 unq 2 iso 0 dist 8.25897 9.18798 4.6865 5.32839 9.61028 12.4194 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 5.69112 7.2091 3.75238 6.58374 9.62597 11.5874 numMergedOcc 0
38 mol 281 unq 0 iso 0 dist 5.50053 7.33334 3.77058 6.82073 9.94612 12.0277 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 9.96374 5.41432 8.12358 12.1551 3.93401 11.613 numMergedOcc 0
