0 mol 16 unq 0 iso 0 dist 6.68517 6.65577 6.75381 10.1407 8.47315 5.48497 5.65481 4.7319 5.50193 5.59769 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.31237 6.3708 8.13248 11.0606 9.33801 9.27318 6.26149 7.89459 4.83621 5.81332 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 9.50575 4.97528 6.3982 9.78923 6.7225 5.93926 6.68557 5.11551 5.29965 5.39296 numMergedOcc 0
3 mol 115 unq 1 iso 0 dist 8.43116 10.0493 6.3982 7.46653 6.7225 5.93926 4.96719 5.11551 5.29965 5.39296 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 4.68975 4.68337 8.31743 8.95641 7.78849 8.14784 9.30817 9.89303 10.2414 11.454 numMergedOcc 0
5 mol 197 unq 0 iso 0 dist 7.70631 4.48352 9.00273 16.2482 8.64255 17.3985 12.7195 8.56633 12.3192 11.8861 numMergedOcc 0
6 mol 197 unq 1 iso 0 dist 7.70631 5.0414 7.19387 16.2482 8.64255 14.5201 12.7195 8.56633 11.7609 11.8861 numMergedOcc 0
7 mol 220 unq 0 iso 0 dist 8.14644 7.55963 9.05754 14.5536 7.31105 11.6352 12.2116 9.23153 15.9524 14.6296 numMergedOcc 0
8 mol 220 unq 1 iso 0 dist 8.14644 7.55963 9.05754 14.5536 7.31105 11.6352 12.2916 8.24498 10.0641 9.52692 numMergedOcc 0
9 mol 238 unq 0 iso 0 dist 9.39537 10.2639 9.94587 6.39493 9.75174 15.1802 9.53107 6.57393 4.3284 13.477 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 8.82778 15.973 9.73858 12.7518 6.37342 11.2409 11.4665 6.16342 7.43079 5.29737 numMergedOcc 0
11 mol 277 unq 0 iso 0 dist 7.23956 13.4588 6.86014 7.09461 6.90434 9.93994 15.6875 9.7748 4.83355 13.2927 numMergedOcc 0
12 mol 277 unq 1 iso 0 dist 7.23956 6.34637 5.97073 7.09461 6.90434 9.83255 15.6875 9.7748 11.2857 13.2927 numMergedOcc 0
13 mol 277 unq 2 iso 0 dist 7.23956 6.5109 6.49176 7.09461 6.90434 11.3539 15.6875 9.7748 14.4976 13.2927 numMergedOcc 0
14 mol 278 unq 0 iso 0 dist 9.91518 17.7311 8.62414 5.49004 9.82774 18.1946 12.8387 8.44326 12.2316 10.5903 numMergedOcc 0
