0 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 9.6245 7.88748 4.10578 14.676 6.21697 6.86951 10.4152 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 6.73481 9.50033 7.50258 3.97609 6.04161 5.97852 12.0262 7.34641 5.36278 9.64034 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 8.41842 10.1727 7.44828 11.8297 7.82815 13.4442 15.6953 9.9897 8.74487 17.1413 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 3.77705 6.44825 11.2455 14.4837 10.6111 6.04303 15.1642 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 8.34804 10.7182 8.27009 3.77705 6.44825 11.2455 9.59265 6.9953 6.12267 10.4907 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 11.6896 8.93181 3.84072 10.7186 4.76384 9.84762 13.3518 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 3.9434 8.93181 3.84072 12.3363 4.76384 9.84762 13.3518 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.17051 5.9683 9.2759 3.75291 5.9959 4.85121 9.96416 12.1681 5.79195 9.97064 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 7.17051 5.9683 9.2759 3.75291 5.9959 4.85121 5.9962 11.2107 8.76088 9.33041 numMergedOcc 0
9 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 4.37138 7.20542 3.82037 10.5546 9.781 9.70154 6.79625 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 9.60268 9.78459 9.11481 5.4035 7.337 4.66376 13.3612 6.11195 7.41092 9.08906 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.79954 9.70858 9.11481 6.46155 7.337 4.66376 11.9617 6.11195 7.41092 9.08906 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 12.5259 5.81438 7.35194 12.2846 8.63339 6.62514 12.857 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 8.40718 12.4189 6.20044 12.5259 5.81438 7.35194 17.6118 11.09 9.41996 13.8492 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 9.26542 9.86881 5.6998 7.47487 8.25586 5.41937 14.7751 5.59365 8.10779 11.9146 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 5.06821 8.63649 4.4227 10.9802 6.99846 9.86144 13.5602 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.17911 13.8539 7.25618 11.5766 9.6327 11.3267 14.4126 7.64421 8.70193 16.844 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 9.52903 9.6053 7.25618 11.7204 9.6327 11.3267 12.3615 7.64421 8.70193 16.844 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 3.79641 8.62843 9.70494 10.8595 6.70676 7.9555 8.95841 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 12.2421 9.91103 13.1828 16.5458 11.3688 6.66936 11.2458 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 10.9521 7.0603 10.6994 16.5458 11.3688 6.66936 9.4543 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 8.89292 4.02114 9.28067 3.72864 7.18295 5.62752 8.43009 7.89565 5.71075 9.19367 numMergedOcc 0
22 mol 283 unq 1 iso 0 dist 8.43009 4.02114 5.71075 3.72864 9.19367 5.62752 8.89292 7.89565 9.28067 7.18295 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 10.6184 5.69849 9.18785 10.6454 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 10.6184 5.69849 9.18785 10.6454 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 10.6184 5.69849 9.18785 10.6454 numMergedOcc 0
