0 mol 20 unq 0 iso 0 dist 9.41097 9.88222 9.39589 4.95443 6.26206 5.5701 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.18409 13.1397 9.52474 5.80624 7.45532 13.9181 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 6.21163 4.75119 9.52474 10.2629 7.45532 13.9181 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.88172 12.965 8.80614 9.94237 6.62229 10.4524 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.91141 9.19589 9.24757 4.73318 6.48232 8.26458 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 5.79841 13.8798 9.82915 13.3069 8.70863 6.37974 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 8.06774 12.692 9.01852 3.73122 6.12967 9.53349 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 5.58734 6.83988 8.00003 6.40944 7.12072 5.75886 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 9.86237 12.2044 6.28565 7.02655 9.98397 8.11992 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 9.86237 12.2044 6.28565 10.2048 9.94578 6.67948 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 5.96506 6.33857 8.78276 9.65804 9.13191 13.4409 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 5.96506 5.72266 7.88805 9.65804 9.13191 9.44878 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 5.96506 5.15286 7.96646 9.65804 9.13191 14.206 numMergedOcc 0
13 mol 130 unq 3 iso 0 dist 5.96506 5.96312 7.90048 9.65804 9.13191 4.28797 numMergedOcc 0
14 mol 135 unq 0 iso 0 dist 9.03598 12.3033 7.90563 10.7535 7.62606 5.66293 numMergedOcc 0
15 mol 135 unq 1 iso 0 dist 9.03598 9.69024 8.97655 10.7535 7.62606 10.1275 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.35864 10.4653 9.97343 12.6656 7.64956 13.8236 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 8.35864 15.1845 9.70413 12.6656 7.64956 6.30121 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.62138 12.9372 6.46461 10.149 5.06613 5.81236 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 5.11444 7.24951 6.46461 5.77969 5.06613 5.81236 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 6.69623 9.0689 8.07687 7.03009 9.14486 7.33454 numMergedOcc 0
21 mol 206 unq 1 iso 0 dist 6.21951 11.1236 8.07687 7.29508 9.14486 7.33454 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 9.05637 6.24624 6.59716 8.06536 5.37796 6.17628 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 9.61639 9.11816 8.80683 11.7881 6.26945 10.142 numMergedOcc 0
24 mol 226 unq 1 iso 0 dist 9.61639 6.92489 6.11704 11.7881 6.26945 6.05184 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 6.23146 13.6402 9.05071 8.14788 8.28466 14.8035 numMergedOcc 0
26 mol 237 unq 0 iso 0 dist 5.62039 7.42147 9.20822 5.91026 5.06628 5.65087 numMergedOcc 0
27 mol 248 unq 0 iso 0 dist 8.53033 6.12544 7.16525 12.2076 7.97135 6.71566 numMergedOcc 0
28 mol 265 unq 0 iso 0 dist 7.49913 5.56416 6.71375 11.5556 8.85062 7.4402 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 8.30714 7.97998 7.46394 12.5565 7.79704 13.7877 numMergedOcc 0
30 mol 274 unq 1 iso 0 dist 8.30714 7.97998 7.46394 16.5768 9.39276 16.6011 numMergedOcc 0
31 mol 274 unq 2 iso 0 dist 8.30714 12.3018 9.45514 12.5565 7.79704 8.09454 numMergedOcc 0
32 mol 274 unq 3 iso 0 dist 8.30714 12.3018 9.45514 16.5768 9.39276 14.1363 numMergedOcc 0
33 mol 274 unq 4 iso 0 dist 8.30714 9.61244 8.91672 12.5565 7.79704 6.23174 numMergedOcc 0
34 mol 274 unq 5 iso 0 dist 8.30714 9.61244 8.91672 16.5768 9.39276 10.9037 numMergedOcc 0
35 mol 274 unq 6 iso 0 dist 8.30714 5.7745 7.1729 12.5565 7.79704 10.0424 numMergedOcc 0
36 mol 274 unq 7 iso 0 dist 8.30714 5.7745 7.1729 16.5768 9.39276 15.375 numMergedOcc 0
37 mol 274 unq 8 iso 0 dist 9.02661 17.306 8.52587 16.9837 8.2997 5.90436 numMergedOcc 0
38 mol 274 unq 9 iso 0 dist 9.02661 10.2307 6.39866 16.9837 8.2997 10.4342 numMergedOcc 0
