0 mol 32 unq 0 iso 0 dist 6.76514 11.483 7.48825 5.31805 4.62858 7.14527 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.62709 10.82 8.59109 7.29857 5.55096 8.70414 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 7.62709 10.9036 8.13782 7.29857 5.55096 6.39184 numMergedOcc 0
3 mol 45 unq 2 iso 0 dist 7.61402 13.4742 8.13782 5.45932 7.21995 9.85038 numMergedOcc 0
4 mol 45 unq 3 iso 0 dist 7.61402 13.4742 8.13782 8.19237 9.62637 13.1805 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.37607 6.13182 6.5096 9.31682 9.2902 7.0313 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.90311 12.9601 9.49413 14.3305 6.51395 9.47219 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 7.81181 11.5609 8.39249 7.62766 5.79343 6.76585 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 9.40225 11.9162 6.90155 5.02458 5.81122 10.143 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 7.49255 9.42317 6.90155 3.98813 5.81122 10.143 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 4.94012 4.71629 6.90155 6.29145 5.81122 10.143 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 9.13913 5.21474 9.79554 10.735 8.41245 12.6533 numMergedOcc 0
12 mol 173 unq 1 iso 0 dist 9.13913 5.21474 9.79554 14.6187 6.64779 15.1434 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.21278 3.81023 6.74517 5.81919 9.19117 8.00091 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.88787 9.91634 8.20656 7.23046 5.95304 4.43678 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.88787 13.2318 9.40622 7.23046 5.95304 6.03415 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.30874 10.168 8.20656 6.56225 9.06217 14.048 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 5.54873 10.168 9.40622 6.56225 7.13252 14.048 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 8.60851 11.5872 6.41318 5.3236 9.86703 12.2576 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 6.04427 5.56344 4.55996 11.3148 9.22384 6.09379 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 6.04427 5.56344 4.55996 12.3328 8.08737 6.99977 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 6.33797 7.21175 4.55996 6.94242 9.22384 6.09379 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 6.33797 7.21175 4.55996 5.76647 8.08737 6.99977 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 8.94854 9.32919 9.86861 13.3182 7.10413 10.4271 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.90344 13.4787 6.00721 5.11183 8.90076 13.3255 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.90344 13.4787 6.00721 6.32646 6.62002 9.71156 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.10967 7.1782 7.25543 5.41296 7.02079 7.4465 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 9.10967 7.1782 7.25543 11.9194 5.88802 6.76677 numMergedOcc 0
28 mol 239 unq 2 iso 0 dist 7.83632 5.88198 7.25543 9.68993 7.02079 7.4465 numMergedOcc 0
29 mol 239 unq 3 iso 0 dist 7.83632 5.88198 7.25543 6.75792 5.88802 6.76677 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.418 7.0716 8.76313 4.34105 8.92185 5.19922 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.418 10.5554 7.4363 4.34105 8.92185 10.2977 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 8.10823 8.79231 8.76313 11.2938 8.92185 5.19922 numMergedOcc 0
33 mol 259 unq 3 iso 0 dist 8.10823 4.95598 7.4363 11.2938 8.92185 10.2977 numMergedOcc 0
