0 mol 25 unq 0 iso 0 dist 8.94828 4.54526 4.79873 16.0229 9.48085 12.7147 12.2829 5.59268 8.27137 13.4236 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.36524 10.0272 7.18022 6.65242 6.24711 3.39994 12.2054 9.84195 9.81143 9.78839 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.36524 6.65242 6.24711 10.0272 7.18022 3.39994 12.2054 9.84195 9.78839 9.81143 numMergedOcc 0
3 mol 89 unq 0 iso 0 dist 8.56124 4.56271 6.53308 4.20641 7.47974 7.04263 11.1234 6.46605 7.55644 12.2036 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 6.86713 5.89506 8.57395 12.4753 8.27883 11.734 9.89353 5.69671 9.70292 12.0576 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 6.86713 5.89506 8.57395 6.52247 5.75428 6.95874 9.89353 5.69671 9.70292 10.4457 numMergedOcc 0
6 mol 95 unq 2 iso 0 dist 6.86713 5.89506 8.57395 6.40728 9.85409 9.43547 9.89353 5.69671 9.70292 9.59704 numMergedOcc 0
7 mol 95 unq 3 iso 0 dist 6.86713 6.40728 9.85409 12.4753 8.27883 17.4304 9.89353 5.69671 9.59704 12.0576 numMergedOcc 0
8 mol 95 unq 4 iso 0 dist 6.86713 6.40728 9.85409 6.52247 5.75428 12.3063 9.89353 5.69671 9.59704 10.4457 numMergedOcc 0
9 mol 95 unq 5 iso 0 dist 6.86713 6.40728 9.85409 5.89506 8.57395 9.43547 9.89353 5.69671 9.59704 9.70292 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.42474 6.59976 5.56994 4.9759 9.05166 5.11 9.83223 4.34071 4.77996 9.80187 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 5.79157 7.97297 8.69531 4.72407 9.1998 5.83782 8.49649 6.36794 8.78303 10.6236 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 8.86346 10.4327 7.18002 13.5413 7.81207 13.4681 14.6986 7.17402 9.15758 12.845 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 4.93681 8.64092 7.18002 9.85239 7.81207 13.4681 11.4403 7.17402 9.15758 12.845 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.52413 6.21482 7.2793 6.47581 9.51091 3.47886 6.22466 11.7795 6.52441 8.16639 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 9.52413 6.21482 7.2793 16.7739 7.85184 12.5618 6.22466 11.7795 6.52441 18.1478 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 6.18446 9.66766 9.10817 7.69814 9.73548 16.8666 8.22331 7.56497 6.0033 14.8201 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 9.93754 15.2642 8.14831 5.30128 6.50998 13.7858 16.8223 9.20928 7.25438 15.0418 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 9.93754 15.2642 8.14831 7.291 9.09424 11.2712 16.8223 9.20928 7.25438 15.8693 numMergedOcc 0
