0 mol 18 unq 0 iso 0 dist 8.24798 6.39307 4.95319 4.49033 8.95294 5.04478 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02079 6.39307 6.19959 4.49033 7.19022 5.04478 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.62527 9.90986 8.90517 6.77783 13.053 9.06516 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.62527 9.90986 8.90517 11.7823 10.7269 9.96121 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.66843 8.69574 6.3858 6.13812 7.62709 5.81001 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.04448 5.33961 10.3972 4.45424 12.1696 4.44979 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.06644 9.13697 10.5047 5.90631 11.3329 5.52149 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 8.53875 5.56446 9.00263 7.03121 13.0052 4.26972 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 8.53875 5.56446 9.00263 5.65619 12.0217 7.54341 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 7.49276 7.25009 10.541 8.63858 13.8323 7.29911 numMergedOcc 0
10 mol 155 unq 1 iso 0 dist 7.49276 7.25009 10.541 4.40049 11.1517 5.36254 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 9.39697 9.48766 9.72539 4.04021 9.75763 9.32333 numMergedOcc 0
12 mol 195 unq 1 iso 0 dist 4.86882 9.48766 5.49738 4.04021 6.52001 9.32333 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 7.32196 9.99194 4.12472 4.81145 6.19514 8.69525 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 5.83646 7.13727 4.48114 13.0115 11.1167 9.84652 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 8.34154 7.59142 7.51644 13.1267 11.3632 8.92667 numMergedOcc 0
16 mol 279 unq 1 iso 0 dist 8.34154 7.59142 7.51644 6.7711 6.10834 6.0283 numMergedOcc 0
17 mol 279 unq 2 iso 0 dist 9.07176 7.59142 3.75346 13.1267 11.5263 8.92667 numMergedOcc 0
18 mol 279 unq 3 iso 0 dist 9.07176 7.59142 3.75346 6.7711 8.24233 6.0283 numMergedOcc 0
19 mol 279 unq 4 iso 0 dist 5.90456 7.59142 5.03816 13.1267 12.3286 8.92667 numMergedOcc 0
20 mol 279 unq 5 iso 0 dist 5.90456 7.59142 5.03816 6.7711 8.50767 6.0283 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 9.86767 7.78796 7.61793 7.69175 11.9524 6.1905 numMergedOcc 0
