0 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 17.1838 10.7229 7.95579 11.3023 13.2962 6.9948 6.19965 7.97049 4.26409 numMergedOcc 0
1 mol 85 unq 0 iso 1 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 13.2962 6.9948 6.19965 7.97049 17.1838 10.7229 7.95579 11.3023 4.26409 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 17.1838 10.7229 7.95579 15.309 13.2962 6.9948 6.19965 11.2656 4.26409 numMergedOcc 0
3 mol 85 unq 1 iso 1 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 13.2962 6.9948 6.19965 11.2656 17.1838 10.7229 7.95579 15.309 4.26409 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 15.3021 8.8807 6.65086 10.1409 18.6091 12.6515 6.56369 11.8665 7.80879 numMergedOcc 0
5 mol 100 unq 0 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 18.6091 12.6515 6.56369 11.8665 15.3021 8.8807 6.65086 10.1409 7.80879 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 15.3021 8.8807 6.65086 10.1409 19.8697 13.887 9.30209 13.912 5.38414 numMergedOcc 0
7 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 19.8697 13.887 9.30209 13.912 15.3021 8.8807 6.65086 10.1409 5.38414 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 18.6091 12.6515 6.56369 11.8665 19.8697 13.887 9.30209 13.912 6.39938 numMergedOcc 0
9 mol 100 unq 1 iso 1 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 19.8697 13.887 9.30209 13.912 18.6091 12.6515 6.56369 11.8665 6.39938 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 15.3021 8.8807 6.65086 14.9102 18.6091 12.6515 6.56369 13.6959 7.80879 numMergedOcc 0
11 mol 100 unq 2 iso 1 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 18.6091 12.6515 6.56369 13.6959 15.3021 8.8807 6.65086 14.9102 7.80879 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 15.3021 8.8807 6.65086 14.9102 19.8697 13.887 9.30209 18.2109 5.38414 numMergedOcc 0
13 mol 100 unq 3 iso 1 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 19.8697 13.887 9.30209 18.2109 15.3021 8.8807 6.65086 14.9102 5.38414 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 18.6091 12.6515 6.56369 13.6959 19.8697 13.887 9.30209 18.2109 6.39938 numMergedOcc 0
15 mol 100 unq 3 iso 1 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 19.8697 13.887 9.30209 18.2109 18.6091 12.6515 6.56369 13.6959 6.39938 numMergedOcc 0
16 mol 100 unq 4 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 17.1897 8.8807 6.65086 10.1409 21.2171 12.6515 6.56369 11.8665 7.80879 numMergedOcc 0
17 mol 100 unq 4 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 21.2171 12.6515 6.56369 11.8665 17.1897 8.8807 6.65086 10.1409 7.80879 numMergedOcc 0
18 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 17.1897 8.8807 6.65086 10.1409 22.2677 13.887 9.30209 13.912 5.38414 numMergedOcc 0
19 mol 100 unq 5 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 22.2677 13.887 9.30209 13.912 17.1897 8.8807 6.65086 10.1409 5.38414 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 21.2171 12.6515 6.56369 11.8665 22.2677 13.887 9.30209 13.912 6.39938 numMergedOcc 0
21 mol 100 unq 5 iso 1 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 22.2677 13.887 9.30209 13.912 21.2171 12.6515 6.56369 11.8665 6.39938 numMergedOcc 0
22 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 17.1897 8.8807 6.65086 14.9102 21.2171 12.6515 6.56369 13.6959 7.80879 numMergedOcc 0
23 mol 100 unq 6 iso 1 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 21.2171 12.6515 6.56369 13.6959 17.1897 8.8807 6.65086 14.9102 7.80879 numMergedOcc 0
24 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 17.1897 8.8807 6.65086 14.9102 22.2677 13.887 9.30209 18.2109 5.38414 numMergedOcc 0
25 mol 100 unq 7 iso 1 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 22.2677 13.887 9.30209 18.2109 17.1897 8.8807 6.65086 14.9102 5.38414 numMergedOcc 0
26 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 21.2171 12.6515 6.56369 13.6959 22.2677 13.887 9.30209 18.2109 6.39938 numMergedOcc 0
27 mol 100 unq 7 iso 1 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 22.2677 13.887 9.30209 18.2109 21.2171 12.6515 6.56369 13.6959 6.39938 numMergedOcc 0
28 mol 100 unq 8 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 8.96916 5.33144 6.45675 10.1409 9.71692 10.1407 8.86688 14.9102 9.71151 numMergedOcc 0
29 mol 100 unq 8 iso 1 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 9.71692 10.1407 8.86688 14.9102 8.96916 5.33144 6.45675 10.1409 9.71151 numMergedOcc 0
30 mol 100 unq 9 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 8.96916 5.33144 6.45675 11.8665 9.71692 10.1407 8.86688 13.6959 9.71151 numMergedOcc 0
31 mol 100 unq 9 iso 1 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 9.71692 10.1407 8.86688 13.6959 8.96916 5.33144 6.45675 11.8665 9.71151 numMergedOcc 0
32 mol 100 unq 10 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 8.96916 5.33144 6.45675 13.912 9.71692 10.1407 8.86688 18.2109 9.71151 numMergedOcc 0
33 mol 100 unq 10 iso 1 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 9.71692 10.1407 8.86688 18.2109 8.96916 5.33144 6.45675 13.912 9.71151 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 11.0698 7.22206 7.83136 16.5575 10.5123 9.3584 7.0603 17.163 7.21564 numMergedOcc 0
35 mol 117 unq 0 iso 1 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 10.5123 9.3584 7.0603 17.163 11.0698 7.22206 7.83136 16.5575 7.21564 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 7.33132 8.22656 6.65743 14.9707 6.761 9.91388 10.0372 16.8376 7.6656 9.52634 13.4163 6.69554 numMergedOcc 0
37 mol 133 unq 0 iso 1 dist 9.79004 10.0277 7.24514 7.33132 8.22656 6.65743 16.8376 7.6656 9.52634 13.4163 14.9707 6.761 9.91388 10.0372 6.69554 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 12.3933 5.49782 8.94367 9.86662 5.57904 5.00817 6.49416 12.5075 8.80819 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 5.57904 5.00817 6.49416 12.5075 12.3933 5.49782 8.94367 9.86662 8.80819 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 12.3933 8.80819 8.94367 11.9139 7.27598 5.00817 6.37586 9.5126 5.49782 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 7.27598 5.00817 6.37586 9.5126 12.3933 8.80819 8.94367 11.9139 5.49782 numMergedOcc 0
42 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 10.5719 5.50998 7.73169 7.26382 15.3413 11.1395 8.96657 11.0824 5.92693 numMergedOcc 0
43 mol 142 unq 0 iso 1 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 15.3413 11.1395 8.96657 11.0824 10.5719 5.50998 7.73169 7.26382 5.92693 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 7.11647 5.66289 8.94056 5.59399 7.66148 10.1658 9.19499 5.56175 7.44554 12.0598 13.581 11.2719 9.83699 15.1382 8.38403 numMergedOcc 0
45 mol 156 unq 0 iso 1 dist 7.11647 5.66289 8.94056 5.59399 7.66148 10.1658 13.581 11.2719 9.83699 15.1382 9.19499 5.56175 7.44554 12.0598 8.38403 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 14.0828 8.03334 13.2049 10.3907 8.88798 5.98885 10.7062 13.7299 12.1628 9.15386 14.9794 5.16002 numMergedOcc 0
47 mol 181 unq 0 iso 1 dist 8.90247 5.114 9.1374 14.0828 8.03334 13.2049 13.7299 12.1628 9.15386 14.9794 10.3907 8.88798 5.98885 10.7062 5.16002 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 9.73411 5.99647 5.78342 14.1073 8.95269 11.5372 10.1632 5.0744 9.16166 9.99123 7.75485 5.60236 5.81334 14.0676 6.91102 numMergedOcc 0
49 mol 224 unq 0 iso 1 dist 9.73411 5.99647 5.78342 14.1073 8.95269 11.5372 7.75485 5.60236 5.81334 14.0676 10.1632 5.0744 9.16166 9.99123 6.91102 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 9.73411 5.99647 5.78342 9.81806 6.57273 8.49799 10.1632 5.0744 9.16166 6.60589 7.75485 5.60236 5.81334 10.5128 6.91102 numMergedOcc 0
51 mol 224 unq 1 iso 1 dist 9.73411 5.99647 5.78342 9.81806 6.57273 8.49799 7.75485 5.60236 5.81334 10.5128 10.1632 5.0744 9.16166 6.60589 6.91102 numMergedOcc 0
52 mol 224 unq 2 iso 0 dist 7.07564 5.44863 5.78342 11.8217 8.95269 11.5372 12.0295 5.0744 9.16166 9.99123 9.11052 5.60236 5.81334 14.0676 6.91102 numMergedOcc 0
53 mol 224 unq 2 iso 1 dist 7.07564 5.44863 5.78342 11.8217 8.95269 11.5372 9.11052 5.60236 5.81334 14.0676 12.0295 5.0744 9.16166 9.99123 6.91102 numMergedOcc 0
54 mol 224 unq 3 iso 0 dist 7.07564 5.44863 5.78342 10.8463 6.57273 8.49799 12.0295 5.0744 9.16166 6.60589 9.11052 5.60236 5.81334 10.5128 6.91102 numMergedOcc 0
55 mol 224 unq 3 iso 1 dist 7.07564 5.44863 5.78342 10.8463 6.57273 8.49799 9.11052 5.60236 5.81334 10.5128 12.0295 5.0744 9.16166 6.60589 6.91102 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 15.2062 6.99063 9.34734 10.4905 12.0857 5.22356 8.65997 10.8157 7.60506 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 12.0857 5.22356 8.65997 10.8157 15.2062 6.99063 9.34734 10.4905 7.60506 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 15.2062 6.99063 9.34734 10.4905 14.9745 10.8658 7.56888 11.0431 7.43198 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 14.9745 10.8658 7.56888 11.0431 15.2062 6.99063 9.34734 10.4905 7.43198 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 15.2062 6.99063 9.34734 10.4905 14.7829 12.4689 7.55216 10.0334 9.51866 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 14.7829 12.4689 7.55216 10.0334 15.2062 6.99063 9.34734 10.4905 9.51866 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 12.0857 5.22356 8.65997 10.8157 14.9745 10.8658 7.56888 11.0431 9.70012 numMergedOcc 0
63 mol 227 unq 1 iso 1 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 14.9745 10.8658 7.56888 11.0431 12.0857 5.22356 8.65997 10.8157 9.70012 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 12.0857 5.22356 8.65997 10.8157 14.7829 12.4689 7.55216 10.0334 12.9332 numMergedOcc 0
65 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 14.7829 12.4689 7.55216 10.0334 12.0857 5.22356 8.65997 10.8157 12.9332 numMergedOcc 0
66 mol 227 unq 2 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 14.9745 10.8658 7.56888 11.0431 14.7829 12.4689 7.55216 10.0334 4.48529 numMergedOcc 0
67 mol 227 unq 2 iso 1 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 14.7829 12.4689 7.55216 10.0334 14.9745 10.8658 7.56888 11.0431 4.48529 numMergedOcc 0
68 mol 252 unq 0 iso 0 dist 7.93609 9.76823 8.33025 7.59919 8.1148 6.0987 13.7964 8.41807 9.2288 8.1715 16.2688 14.9102 7.19638 10.5136 11.7918 numMergedOcc 0
69 mol 252 unq 0 iso 1 dist 7.93609 9.76823 8.33025 7.59919 8.1148 6.0987 16.2688 14.9102 7.19638 10.5136 13.7964 8.41807 9.2288 8.1715 11.7918 numMergedOcc 0
