0 mol 4 unq 0 iso 0 dist 6.12485 7.88748 4.10578 6.21697 6.86951 10.4152 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 5.36278 9.64034 5.97852 7.34641 7.50258 6.04161 numMergedOcc 0
2 mol 29 unq 1 iso 0 dist 5.36278 8.26334 11.1943 7.34641 7.50258 15.6004 numMergedOcc 0
3 mol 29 unq 2 iso 0 dist 7.50258 6.04161 5.97852 7.34641 5.36278 9.64034 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 7.44828 7.82815 13.4442 9.9897 8.74487 17.1413 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 5.24742 8.21139 3.82233 7.02539 9.29433 11.59 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 9.24055 8.21139 6.39865 7.02539 9.66898 11.59 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.27009 6.44825 11.2455 10.6111 6.04303 15.1642 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.27009 6.44825 11.2455 6.9953 6.12267 10.4907 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 5.73235 6.14248 6.1999 10.0928 7.48127 6.97936 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 7.48127 6.97936 6.1999 10.0928 5.73235 6.14248 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 5.2184 8.93181 3.84072 4.76384 9.84762 13.3518 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.2759 5.9959 4.85121 12.1681 5.79195 9.97064 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 9.2759 5.9959 4.85121 11.2107 8.76088 9.33041 numMergedOcc 0
14 mol 139 unq 0 iso 0 dist 9.70154 6.79625 3.82037 9.781 8.78382 7.20542 numMergedOcc 0
15 mol 139 unq 1 iso 0 dist 8.78382 7.20542 3.82037 9.781 9.70154 6.79625 numMergedOcc 0
16 mol 168 unq 0 iso 0 dist 9.11481 7.337 4.66376 6.11195 7.41092 9.08906 numMergedOcc 0
17 mol 168 unq 1 iso 0 dist 7.41092 9.08906 4.66376 6.11195 9.11481 7.337 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 6.38335 5.61979 5.2973 11.427 8.27913 13.3411 numMergedOcc 0
19 mol 182 unq 1 iso 0 dist 6.38335 5.61979 5.2973 9.71185 8.85111 11.4615 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.20044 5.81438 7.35194 8.63339 6.62514 12.857 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 6.20044 5.81438 7.35194 11.09 9.41996 13.8492 numMergedOcc 0
22 mol 211 unq 0 iso 0 dist 5.6998 8.25586 5.41937 5.59365 8.10779 11.9146 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 5.86911 8.44407 4.54444 8.94237 7.82201 12.0564 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 5.86911 6.0155 7.05353 8.94237 7.82201 13.7263 numMergedOcc 0
25 mol 214 unq 2 iso 0 dist 5.86911 8.89981 12.9344 8.94237 7.82201 13.0479 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 6.39087 8.63649 4.4227 6.99846 9.86144 13.5602 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 6.80214 6.16832 3.95204 12.1405 8.57174 12.4568 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 7.58554 7.98794 7.26668 7.99748 8.26312 11.4569 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.25618 9.6327 11.3267 7.64421 8.70193 16.844 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 6.57444 8.95841 10.6488 13.1611 9.39714 19.0368 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 7.9555 8.95841 9.70494 6.70676 8.8646 8.62843 numMergedOcc 0
32 mol 266 unq 2 iso 0 dist 8.8646 8.62843 9.70494 6.70676 7.9555 8.95841 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 8.15119 9.91103 13.1828 11.3688 6.66936 11.2458 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 8.15119 7.0603 10.6994 11.3688 6.66936 9.4543 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 9.28067 7.18295 5.62752 7.89565 5.71075 9.19367 numMergedOcc 0
36 mol 283 unq 1 iso 0 dist 5.71075 9.19367 5.62752 7.89565 9.28067 7.18295 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 6.45597 6.06665 5.19406 5.69849 9.18785 10.6454 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 6.45597 6.06665 5.19406 5.69849 9.18785 10.6454 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 6.45597 6.06665 5.19406 5.69849 9.18785 10.6454 numMergedOcc 0
