0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 4.90888 6.82505 5.17568 9.5538 7.12903 5.90976 5.51916 15.2545 9.03536 8.38064 10.4158 8.21493 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 9.70735 4.90888 6.82505 9.40358 9.97507 5.17568 9.5538 7.12903 5.51916 5.90976 15.2545 9.03536 10.4158 8.38064 8.21493 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 15.0607 9.96708 10.7394 13.1473 6.77912 12.0644 7.11552 10.1695 5.36766 12.8385 10.8086 8.624 numMergedOcc 0
3 mol 72 unq 0 iso 1 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 13.1473 6.77912 7.11552 12.0644 10.1695 5.36766 10.8086 12.8385 8.624 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 13.5384 7.66905 5.42586 8.46482 7.22293 7.98917 11.6116 13.2962 6.9948 7.97049 6.19965 9.47876 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 8.46482 7.22293 11.6116 7.98917 13.2962 6.9948 6.19965 7.97049 9.47876 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.56728 11.609 7.47541 5.29763 5.73196 6.87425 8.46482 7.22293 7.98917 6.47779 13.2962 6.9948 7.97049 11.2656 9.47876 numMergedOcc 0
7 mol 85 unq 1 iso 1 dist 6.56728 5.29763 5.73196 11.609 7.47541 6.87425 8.46482 7.22293 6.47779 7.98917 13.2962 6.9948 11.2656 7.97049 9.47876 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 8.46482 7.22293 11.6116 6.47779 13.2962 6.9948 6.19965 11.2656 9.47876 numMergedOcc 0
9 mol 85 unq 1 iso 1 dist 6.56728 5.29763 5.73196 13.5384 7.66905 10.1164 8.46482 7.22293 6.47779 11.6116 13.2962 6.9948 11.2656 6.19965 9.47876 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 11.8754 7.75343 15.209 10.9608 11.3277 5.88134 12.0662 9.60661 6.58204 numMergedOcc 0
11 mol 100 unq 0 iso 1 dist 5.70279 5.85449 6.65086 5.92158 7.47343 8.8807 11.8754 7.75343 10.9608 15.209 11.3277 5.88134 9.60661 12.0662 6.58204 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 11.8754 7.75343 15.209 5.69137 11.3277 5.88134 12.0662 9.35224 6.58204 numMergedOcc 0
13 mol 100 unq 1 iso 1 dist 5.70279 7.68675 6.56369 5.92158 7.47343 12.6515 11.8754 7.75343 5.69137 15.209 11.3277 5.88134 9.35224 12.0662 6.58204 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 11.8754 7.75343 15.209 9.21622 11.3277 5.88134 12.0662 10.5853 6.58204 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 5.70279 9.53223 9.30209 5.92158 7.47343 13.887 11.8754 7.75343 9.21622 15.209 11.3277 5.88134 10.5853 12.0662 6.58204 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 5.70279 5.85449 6.65086 7.68675 6.56369 7.80879 11.8754 7.75343 10.9608 5.69137 11.3277 5.88134 9.60661 9.35224 6.58204 numMergedOcc 0
17 mol 100 unq 1 iso 1 dist 5.70279 7.68675 6.56369 5.85449 6.65086 7.80879 11.8754 7.75343 5.69137 10.9608 11.3277 5.88134 9.35224 9.60661 6.58204 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 5.70279 5.85449 6.65086 9.53223 9.30209 5.38414 11.8754 7.75343 10.9608 9.21622 11.3277 5.88134 9.60661 10.5853 6.58204 numMergedOcc 0
19 mol 100 unq 2 iso 1 dist 5.70279 9.53223 9.30209 5.85449 6.65086 5.38414 11.8754 7.75343 9.21622 10.9608 11.3277 5.88134 10.5853 9.60661 6.58204 numMergedOcc 0
20 mol 100 unq 2 iso 0 dist 5.70279 7.68675 6.56369 9.53223 9.30209 6.39938 11.8754 7.75343 5.69137 9.21622 11.3277 5.88134 9.35224 10.5853 6.58204 numMergedOcc 0
21 mol 100 unq 2 iso 1 dist 5.70279 9.53223 9.30209 7.68675 6.56369 6.39938 11.8754 7.75343 9.21622 5.69137 11.3277 5.88134 10.5853 9.35224 6.58204 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 5.19652 6.11741 8.02349 7.266 9.66954 6.09023 4.61908 12.9647 7.69052 5.83991 7.88312 8.66155 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 8.97043 5.19652 6.11741 11.8721 9.33865 8.02349 7.266 9.66954 4.61908 6.09023 12.9647 7.69052 7.88312 5.83991 8.66155 numMergedOcc 0
24 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 5.21051 7.90328 13.1058 5.70073 6.62561 11.3679 4.91401 11.0698 7.22206 16.5575 7.83136 7.63616 numMergedOcc 0
25 mol 117 unq 0 iso 1 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 5.70073 6.62561 4.91401 11.3679 11.0698 7.22206 7.83136 16.5575 7.63616 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 7.26771 5.42582 5.41704 6.17103 12.3933 5.49782 8.94367 9.86662 8.79571 numMergedOcc 0
27 mol 134 unq 0 iso 1 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 7.26771 5.42582 6.17103 5.41704 12.3933 5.49782 9.86662 8.94367 8.79571 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 7.26771 5.42582 5.41704 6.17103 5.57904 5.00817 6.49416 12.5075 8.6355 numMergedOcc 0
29 mol 134 unq 1 iso 1 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 7.26771 5.42582 6.17103 5.41704 5.57904 5.00817 12.5075 6.49416 8.6355 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 5.57904 7.41837 6.54501 6.50005 6.49416 5.00526 7.26771 8.6355 10.1448 5.41704 12.3933 8.80819 11.9139 8.94367 8.79571 numMergedOcc 0
31 mol 134 unq 2 iso 1 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 7.26771 8.6355 5.41704 10.1448 12.3933 8.80819 8.94367 11.9139 8.79571 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 5.57904 7.41837 6.54501 6.50005 6.49416 5.00526 7.26771 8.6355 10.1448 5.41704 7.27598 5.00817 9.5126 6.37586 5.42582 numMergedOcc 0
33 mol 134 unq 3 iso 1 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 7.26771 8.6355 5.41704 10.1448 7.27598 5.00817 6.37586 9.5126 5.42582 numMergedOcc 0
34 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 4.39297 7.26382 5.50998 11.8956 9.07935 9.49653 7.53854 10.9228 5.32922 9.2313 7.73169 7.15475 numMergedOcc 0
35 mol 142 unq 0 iso 1 dist 9.14908 4.39297 7.26382 6.3846 5.31024 5.50998 11.8956 9.07935 7.53854 9.49653 10.9228 5.32922 7.73169 9.2313 7.15475 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 7.35206 8.17891 6.43754 9.13836 12.0857 5.22356 8.65997 10.8157 6.95902 numMergedOcc 0
37 mol 227 unq 0 iso 1 dist 9.60159 6.38287 7.09863 7.51316 7.22101 4.39704 7.35206 8.17891 9.13836 6.43754 12.0857 5.22356 10.8157 8.65997 6.95902 numMergedOcc 0
38 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 10.4451 8.46116 8.12676 13.7563 9.09992 10.841 5.63139 12.3168 5.40809 13.2494 8.33638 6.73206 numMergedOcc 0
39 mol 272 unq 0 iso 1 dist 7.31993 10.4451 8.46116 7.33684 9.97651 8.12676 13.7563 9.09992 5.63139 10.841 12.3168 5.40809 8.33638 13.2494 6.73206 numMergedOcc 0
