0 mol 16 unq 0 iso 0 dist 9.30471 6.88552 5.05803 10.3757 7.03948 6.2983 12.8949 6.92781 6.31718 5.47769 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.30471 6.88552 5.05803 10.3757 7.03948 6.2983 16.6039 10.7015 10.9143 6.58035 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 6.41045 13.3276 8.4674 10.26 6.20943 5.14627 12.238 7.83352 9.78944 6.00439 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 6.41045 13.3276 8.4674 10.26 6.20943 5.14627 13.3505 7.67038 4.54938 7.82528 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.41045 7.64353 4.51865 10.26 6.20943 4.69858 12.238 7.83352 9.56313 6.00439 numMergedOcc 0
5 mol 19 unq 3 iso 0 dist 6.41045 7.64353 4.51865 10.26 6.20943 4.69858 13.3505 7.67038 6.864 7.82528 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.75668 7.26966 9.67592 4.97497 8.68586 5.3948 9.64871 10.6748 14.5656 9.54144 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 9.20448 14.2474 7.79912 8.88127 5.15851 10.0425 15.1843 9.02771 11.673 6.33365 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 9.20448 12.103 8.56639 8.88127 5.15851 11.8774 15.1843 9.02771 15.657 6.33365 numMergedOcc 0
9 mol 75 unq 2 iso 0 dist 9.20448 5.76778 8.59017 8.88127 5.15851 10.0372 15.1843 9.02771 15.872 6.33365 numMergedOcc 0
10 mol 75 unq 3 iso 0 dist 6.96759 13.8905 7.79912 6.78257 5.15851 10.0425 12.4745 9.02771 11.673 6.33365 numMergedOcc 0
11 mol 75 unq 4 iso 0 dist 6.96759 12.899 8.56639 6.78257 5.15851 11.8774 12.4745 9.02771 15.657 6.33365 numMergedOcc 0
12 mol 75 unq 5 iso 0 dist 6.96759 8.41332 8.59017 6.78257 5.15851 10.0372 12.4745 9.02771 15.872 6.33365 numMergedOcc 0
13 mol 75 unq 6 iso 0 dist 6.97318 11.2774 7.79912 4.7798 5.15851 10.0425 11.0069 9.02771 11.673 6.33365 numMergedOcc 0
14 mol 75 unq 7 iso 0 dist 6.97318 11.0206 8.56639 4.7798 5.15851 11.8774 11.0069 9.02771 15.657 6.33365 numMergedOcc 0
15 mol 75 unq 8 iso 0 dist 6.97318 6.56982 8.59017 4.7798 5.15851 10.0372 11.0069 9.02771 15.872 6.33365 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.689 14.9329 9.60661 4.71183 6.58204 10.9608 11.1764 5.88134 6.65086 7.75343 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 7.689 5.71475 7.17106 4.71183 6.58204 5.01145 11.1764 5.88134 10.5134 7.75343 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 7.689 10.3954 9.35224 4.71183 6.58204 5.69137 11.1764 5.88134 6.56369 7.75343 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 10.2716 7.75343 15.209 12.7823 5.88134 12.0662 6.58204 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 9.22737 6.60925 6.65086 10.2716 7.75343 10.9608 12.7823 5.88134 9.60661 6.58204 numMergedOcc 0
21 mol 100 unq 5 iso 0 dist 9.22737 4.95357 6.56369 10.2716 7.75343 5.69137 12.7823 5.88134 9.35224 6.58204 numMergedOcc 0
22 mol 100 unq 6 iso 0 dist 9.22737 5.05858 9.30209 10.2716 7.75343 9.21622 12.7823 5.88134 10.5853 6.58204 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 9.41191 12.7291 8.69985 7.32599 5.87358 9.46098 10.501 4.98336 13.4572 9.20981 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.86784 5.15251 6.54501 10.0815 8.6355 10.1448 15.1513 8.80819 11.9139 8.79571 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 8.86784 5.15251 6.54501 10.0815 8.6355 10.1448 11.3169 5.00817 9.5126 5.42582 numMergedOcc 0
26 mol 134 unq 2 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 15.1513 8.80819 8.94367 8.79571 numMergedOcc 0
27 mol 134 unq 3 iso 0 dist 8.86784 6.65283 6.49416 10.0815 8.6355 5.41704 11.3169 5.00817 6.37586 5.42582 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 9.16358 10.0911 8.94367 5.0903 8.79571 5.41704 6.48328 5.49782 6.37586 5.42582 numMergedOcc 0
29 mol 134 unq 5 iso 0 dist 9.16358 10.0911 8.94367 5.0903 8.79571 5.41704 11.0053 8.80819 6.49416 8.6355 numMergedOcc 0
30 mol 134 unq 6 iso 0 dist 9.16358 9.66197 9.86662 5.0903 8.79571 6.17103 6.48328 5.49782 9.71307 5.42582 numMergedOcc 0
31 mol 134 unq 7 iso 0 dist 9.16358 9.66197 9.86662 5.0903 8.79571 6.17103 11.0053 8.80819 12.5075 8.6355 numMergedOcc 0
32 mol 134 unq 8 iso 0 dist 6.48328 10.0911 6.37586 5.0903 5.42582 5.41704 9.16358 5.49782 8.94367 8.79571 numMergedOcc 0
33 mol 134 unq 9 iso 0 dist 6.48328 10.0911 6.37586 5.0903 5.42582 5.41704 11.0053 5.00817 6.49416 8.6355 numMergedOcc 0
34 mol 134 unq 10 iso 0 dist 6.48328 9.66197 9.71307 5.0903 5.42582 6.17103 9.16358 5.49782 9.86662 8.79571 numMergedOcc 0
35 mol 134 unq 11 iso 0 dist 6.48328 9.66197 9.71307 5.0903 5.42582 6.17103 11.0053 5.00817 12.5075 8.6355 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 7.49783 12.8561 8.95269 10.7068 6.67585 5.29877 11.5265 4.70378 6.57273 6.65984 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 8.27093 10.9396 7.22101 6.92493 8.17891 6.43754 9.02226 5.22356 8.65997 6.95902 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 8.27093 10.9533 7.09863 6.92493 8.17891 9.13836 9.02226 5.22356 10.8157 6.95902 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 9.02226 10.9396 8.65997 6.92493 6.95902 6.43754 8.27093 5.22356 7.22101 8.17891 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 5.46736 4.82695 8.34494 10.024 6.25105 10.3337 10.8568 5.88703 12.9605 7.85175 numMergedOcc 0
41 mol 234 unq 1 iso 0 dist 5.46736 4.93623 6.56247 10.024 6.25105 11.216 10.8568 5.88703 9.45496 7.85175 numMergedOcc 0
42 mol 234 unq 2 iso 0 dist 5.46736 11.7817 9.36357 10.024 6.25105 11.4315 10.8568 5.88703 6.7625 7.85175 numMergedOcc 0
43 mol 236 unq 0 iso 0 dist 7.87233 15.6279 9.81562 4.71339 5.34718 11.8759 9.13551 7.28249 8.03456 7.17676 numMergedOcc 0
44 mol 236 unq 1 iso 0 dist 7.87233 13.7246 7.68742 4.71339 5.34718 11.3552 9.13551 7.28249 6.84306 7.17676 numMergedOcc 0
45 mol 236 unq 2 iso 0 dist 7.87233 10.5269 6.27581 4.71339 5.34718 6.04825 9.13551 7.28249 9.99038 7.17676 numMergedOcc 0
46 mol 249 unq 0 iso 0 dist 6.26142 5.59015 7.57994 10.0505 8.83735 5.23473 13.7735 8.34718 11.7594 8.96876 numMergedOcc 0
47 mol 249 unq 1 iso 0 dist 6.26142 4.77325 6.18582 10.0505 8.83735 7.38675 13.7735 8.34718 12.2913 8.96876 numMergedOcc 0
