0 mol 63 unq 0 iso 0 dist 7.10403 5.60513 6.49343 13.7732 12.2413 9.78739 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 6.27017 5.04832 8.85416 10.3662 12.1186 5.66803 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.78105 4.82573 8.61089 13.2324 12.6473 8.64686 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 8.10965 12.706 8.078 14.5427 6.73664 7.66418 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.72732 8.09812 9.2759 13.4646 12.1681 5.79195 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 8.72732 8.09812 9.2759 14.5023 11.2107 8.76088 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 8.72216 4.46614 7.60956 12.9378 8.73614 9.13339 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 8.19939 7.20315 7.21397 11.9061 11.6064 9.8755 numMergedOcc 0
8 mol 165 unq 1 iso 0 dist 8.19939 7.20315 7.21397 13.5707 8.33453 8.46714 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 6.79646 4.9282 7.03107 8.41614 4.6893 7.30813 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 8.41614 4.9282 7.30813 6.79646 4.6893 7.03107 numMergedOcc 0
11 mol 189 unq 0 iso 0 dist 9.40683 6.55569 6.38294 15.5697 8.74557 9.47321 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 7.30459 8.3119 6.20044 13.8665 8.63339 6.62514 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 7.30459 8.3119 6.20044 16.5394 11.09 9.41996 numMergedOcc 0
14 mol 204 unq 2 iso 0 dist 8.73423 13.884 6.20044 15.4411 8.63339 6.62514 numMergedOcc 0
15 mol 204 unq 3 iso 0 dist 8.73423 13.884 6.20044 19.3838 11.09 9.41996 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.74406 8.42395 5.86911 14.9907 8.94237 7.82201 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 8.88518 14.3641 7.25618 15.5219 7.64421 8.70193 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.4961 5.53565 9.39714 10.6206 13.1611 6.57444 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.07099 4.19938 6.57444 8.3978 13.1611 9.39714 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 7.07099 8.95939 7.9555 13.0136 6.70676 8.8646 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 8.3978 4.19938 9.39714 7.07099 13.1611 6.57444 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 9.1629 5.26123 8.83076 14.6885 11.8293 9.76967 numMergedOcc 0
23 mol 280 unq 1 iso 0 dist 7.38699 6.22294 8.83076 14.0815 11.8293 9.76967 numMergedOcc 0
