0 mol 14 unq 0 iso 0 dist 8.64855 15.5387 9.58196 18.7517 10.9516 8.60571 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.94714 11.2303 9.04767 17.5262 11.3111 8.60571 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.68517 5.65481 4.7319 11.0264 5.40044 6.28033 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 13.4188 4.96681 9.22151 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.94828 15.6642 7.17969 13.4188 4.96681 6.22122 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 8.34858 5.90113 9.17086 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 13.9217 5.90113 9.17086 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 6.67213 6.57102 9.0709 10.7707 6.03084 9.23497 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 6.77833 5.33532 9.65964 7.68652 14.2824 7.63663 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 9.83265 7.6455 9.65964 8.94512 14.2824 7.63663 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.43143 16.2349 9.96708 19.7927 11.6369 6.7212 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 18.4493 15.0607 6.68311 numMergedOcc 0
12 mol 90 unq 0 iso 0 dist 7.96299 6.75623 5.83409 4.48773 6.1985 8.44515 numMergedOcc 0
13 mol 90 unq 1 iso 0 dist 7.96299 6.75623 5.83409 12.3472 6.45992 9.41382 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 16.808 7.41343 9.08014 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 9.50575 6.68557 5.11551 9.17664 5.47689 6.55511 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.43116 4.96719 5.11551 9.18913 5.47689 6.55511 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 6.23645 4.96719 7.11972 9.18913 6.00348 6.55511 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 6.23645 6.47836 6.90986 9.60261 5.14332 8.46684 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.5055 10.9541 8.22656 8.82079 7.33132 9.79004 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 7.5055 5.61003 6.82262 8.82079 7.33132 8.43069 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 5.79157 14.1608 9.71307 16.096 12.0971 7.27598 numMergedOcc 0
22 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 15.4113 8.68855 7.15087 numMergedOcc 0
23 mol 142 unq 1 iso 0 dist 4.93681 12.8283 9.2313 11.5686 8.68855 7.15087 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 15.6915 14.0828 8.90247 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 10.4734 8.61343 5.16813 numMergedOcc 0
26 mol 231 unq 0 iso 0 dist 6.02527 6.68357 7.37839 13.2048 10.613 8.91036 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.39537 9.53107 6.57393 13.3982 5.33697 6.06422 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.97461 10.4685 6.22714 14.5306 7.45873 4.87108 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 8.97461 10.4685 6.22714 11.7701 5.17954 6.54455 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 8.97461 11.6506 7.31233 14.5306 7.45873 7.64276 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 9.20248 4.77446 6.83046 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 7.38315 10.6994 7.32223 14.029 9.23512 7.26981 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 7.38315 10.6994 7.32223 18.6319 12.3948 9.02643 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 14.3247 6.50871 8.9706 numMergedOcc 0
