0 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 4.90888 6.82505 5.17568 15.2545 9.03536 8.38064 10.4158 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 14.9411 8.38394 6.44287 17.2959 10.0952 6.86014 12.5077 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 8.1124 8.8178 10.7394 10.1663 8.24309 9.78528 9.84449 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 6.7212 11.6369 9.96708 6.12361 9.78528 8.24309 12.3223 10.7394 8.8178 9.84449 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 13.5384 7.66905 5.42586 13.2962 6.9948 7.97049 6.19965 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 6.56728 11.609 7.47541 5.29763 5.73196 6.87425 13.2962 6.9948 7.97049 11.2656 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 17.1838 10.7229 7.95579 11.3023 numMergedOcc 0
7 mol 85 unq 3 iso 0 dist 6.56728 13.5384 7.66905 11.609 7.47541 5.42586 13.2962 6.9948 6.19965 7.97049 numMergedOcc 0
8 mol 85 unq 4 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 17.1838 10.7229 7.95579 15.309 numMergedOcc 0
9 mol 85 unq 5 iso 0 dist 6.56728 13.5384 7.66905 5.29763 5.73196 10.1164 13.2962 6.9948 6.19965 11.2656 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.72688 15.0368 9.01083 9.68673 7.88289 8.18643 14.1203 5.53837 7.2658 11.152 numMergedOcc 0
11 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 numMergedOcc 0
12 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 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 6.89293 6.45675 5.33144 19.8697 13.887 9.30209 13.912 numMergedOcc 0
14 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 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 18.6091 12.6515 6.56369 13.6959 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 8.92577 12.0555 7.47343 12.7188 8.86688 10.1407 19.8697 13.887 9.30209 18.2109 numMergedOcc 0
17 mol 100 unq 6 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 17.1897 8.8807 6.65086 10.1409 numMergedOcc 0
18 mol 100 unq 7 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 21.2171 12.6515 6.56369 11.8665 numMergedOcc 0
19 mol 100 unq 8 iso 0 dist 9.56324 16.8752 7.47343 15.1093 6.45675 5.33144 22.2677 13.887 9.30209 13.912 numMergedOcc 0
20 mol 100 unq 9 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 17.1897 8.8807 6.65086 14.9102 numMergedOcc 0
21 mol 100 unq 10 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 21.2171 12.6515 6.56369 13.6959 numMergedOcc 0
22 mol 100 unq 11 iso 0 dist 9.56324 16.8752 7.47343 13.0353 8.86688 10.1407 22.2677 13.887 9.30209 18.2109 numMergedOcc 0
23 mol 100 unq 12 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 8.96916 5.33144 6.45675 10.1409 numMergedOcc 0
24 mol 100 unq 13 iso 0 dist 5.70279 5.92158 7.47343 5.85449 6.65086 8.8807 9.71692 10.1407 8.86688 14.9102 numMergedOcc 0
25 mol 100 unq 14 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 8.96916 5.33144 6.45675 11.8665 numMergedOcc 0
26 mol 100 unq 15 iso 0 dist 5.70279 5.92158 7.47343 7.68675 6.56369 12.6515 9.71692 10.1407 8.86688 13.6959 numMergedOcc 0
27 mol 100 unq 16 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 8.96916 5.33144 6.45675 13.912 numMergedOcc 0
28 mol 100 unq 17 iso 0 dist 5.70279 5.92158 7.47343 9.53223 9.30209 13.887 9.71692 10.1407 8.86688 18.2109 numMergedOcc 0
29 mol 100 unq 18 iso 0 dist 5.70279 5.85449 6.65086 5.92158 7.47343 8.8807 11.3277 5.88134 9.60661 12.0662 numMergedOcc 0
30 mol 100 unq 19 iso 0 dist 5.70279 5.85449 6.65086 7.68675 6.56369 7.80879 11.3277 5.88134 9.60661 9.35224 numMergedOcc 0
31 mol 100 unq 20 iso 0 dist 5.70279 5.85449 6.65086 9.53223 9.30209 5.38414 11.3277 5.88134 9.60661 10.5853 numMergedOcc 0
32 mol 100 unq 21 iso 0 dist 5.70279 7.68675 6.56369 5.92158 7.47343 12.6515 11.3277 5.88134 9.35224 12.0662 numMergedOcc 0
33 mol 100 unq 22 iso 0 dist 5.70279 7.68675 6.56369 5.85449 6.65086 7.80879 11.3277 5.88134 9.35224 9.60661 numMergedOcc 0
34 mol 100 unq 23 iso 0 dist 5.70279 7.68675 6.56369 9.53223 9.30209 6.39938 11.3277 5.88134 9.35224 10.5853 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 5.19652 6.11741 8.02349 12.9647 7.69052 5.83991 7.88312 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 11.8721 9.33865 8.02349 12.9647 7.69052 7.88312 5.83991 numMergedOcc 0
37 mol 115 unq 2 iso 0 dist 6.55511 6.00348 7.11972 5.47689 5.11551 6.5838 12.6252 10.498 6.90986 11.4095 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 8.46684 5.14332 6.90986 5.28643 5.39945 5.67807 9.47822 10.498 7.11972 11.8863 numMergedOcc 0
39 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 numMergedOcc 0
40 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 8.12649 9.84395 13.1058 10.5123 9.3584 7.0603 17.163 numMergedOcc 0
41 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 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 9.79004 10.0277 7.24514 7.33132 8.22656 6.65743 16.8376 7.6656 9.52634 13.4163 numMergedOcc 0
43 mol 133 unq 2 iso 0 dist 9.79004 7.33132 8.22656 10.0277 7.24514 6.65743 8.43069 5.61668 6.82262 10.2995 numMergedOcc 0
44 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 numMergedOcc 0
45 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 12.0971 9.71307 6.81259 5.57904 5.00817 6.49416 12.5075 numMergedOcc 0
46 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 6.50005 6.37586 6.81259 12.3933 5.49782 9.86662 8.94367 numMergedOcc 0
47 mol 134 unq 3 iso 0 dist 5.57904 7.41837 6.54501 6.50005 6.49416 5.00526 11.3191 5.79898 9.89303 9.93925 numMergedOcc 0
48 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 12.3933 8.80819 8.94367 11.9139 numMergedOcc 0
49 mol 134 unq 5 iso 0 dist 5.57904 6.50005 6.49416 7.41837 6.54501 5.00526 7.27598 5.00817 6.37586 9.5126 numMergedOcc 0
50 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 numMergedOcc 0
51 mol 142 unq 1 iso 0 dist 7.15087 8.68855 9.2313 5.50176 5.31024 5.32922 15.3413 11.1395 8.96657 11.0824 numMergedOcc 0
52 mol 142 unq 2 iso 0 dist 7.15087 5.50176 5.31024 8.68855 9.2313 5.32922 10.5719 5.50998 7.26382 7.73169 numMergedOcc 0
53 mol 142 unq 3 iso 0 dist 9.14908 6.3846 5.31024 4.39297 7.26382 5.50998 10.9228 5.32922 9.2313 7.73169 numMergedOcc 0
54 mol 142 unq 4 iso 0 dist 9.14908 4.39297 7.26382 6.3846 5.31024 5.50998 10.9228 5.32922 7.73169 9.2313 numMergedOcc 0
55 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 numMergedOcc 0
56 mol 156 unq 1 iso 0 dist 7.11647 5.66289 8.94056 5.59399 7.66148 10.1658 13.581 11.2719 9.83699 15.1382 numMergedOcc 0
57 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 numMergedOcc 0
58 mol 181 unq 1 iso 0 dist 8.90247 5.114 9.1374 14.0828 8.03334 13.2049 13.7299 12.1628 9.15386 14.9794 numMergedOcc 0
59 mol 186 unq 0 iso 0 dist 5.16813 11.0854 8.87694 8.61343 7.54065 5.74635 14.4578 9.50685 9.09754 10.7914 numMergedOcc 0
60 mol 186 unq 1 iso 0 dist 5.16813 11.0854 8.87694 5.87924 9.70748 14.9058 14.4578 9.50685 9.09754 18.6929 numMergedOcc 0
61 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 14.1073 8.95269 4.70378 10.1632 5.0744 6.60589 9.99123 numMergedOcc 0
62 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 5.99647 5.78342 8.49799 10.1632 5.0744 6.60589 9.16166 numMergedOcc 0
63 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 14.1073 8.95269 11.5372 10.1632 5.0744 9.16166 9.99123 numMergedOcc 0
64 mol 224 unq 3 iso 0 dist 9.73411 5.99647 5.78342 14.1073 8.95269 11.5372 7.75485 5.60236 5.81334 14.0676 numMergedOcc 0
65 mol 224 unq 4 iso 0 dist 9.73411 5.99647 5.78342 9.81806 6.57273 8.49799 10.1632 5.0744 9.16166 6.60589 numMergedOcc 0
66 mol 224 unq 5 iso 0 dist 9.73411 5.99647 5.78342 9.81806 6.57273 8.49799 7.75485 5.60236 5.81334 10.5128 numMergedOcc 0
67 mol 224 unq 6 iso 0 dist 7.07564 10.8463 6.57273 11.8217 8.95269 4.70378 12.0295 5.0744 6.60589 9.99123 numMergedOcc 0
68 mol 224 unq 7 iso 0 dist 7.07564 10.8463 6.57273 5.44863 5.78342 8.49799 12.0295 5.0744 6.60589 9.16166 numMergedOcc 0
69 mol 224 unq 8 iso 0 dist 7.07564 5.44863 5.78342 11.8217 8.95269 11.5372 12.0295 5.0744 9.16166 9.99123 numMergedOcc 0
70 mol 224 unq 9 iso 0 dist 7.07564 5.44863 5.78342 11.8217 8.95269 11.5372 9.11052 5.60236 5.81334 14.0676 numMergedOcc 0
71 mol 224 unq 10 iso 0 dist 7.07564 5.44863 5.78342 10.8463 6.57273 8.49799 12.0295 5.0744 9.16166 6.60589 numMergedOcc 0
72 mol 224 unq 11 iso 0 dist 7.07564 5.44863 5.78342 10.8463 6.57273 8.49799 9.11052 5.60236 5.81334 10.5128 numMergedOcc 0
73 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 numMergedOcc 0
74 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 numMergedOcc 0
75 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 numMergedOcc 0
76 mol 227 unq 3 iso 0 dist 9.60159 7.51316 7.22101 6.38287 7.09863 4.39704 14.7829 12.4689 7.55216 10.0334 numMergedOcc 0
77 mol 229 unq 0 iso 0 dist 5.00457 5.65373 7.03423 6.23084 9.06952 6.84129 8.8557 5.57838 8.22528 13.2905 numMergedOcc 0
78 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 9.76823 8.33025 6.0987 13.7964 8.41807 8.1715 9.2288 numMergedOcc 0
79 mol 252 unq 1 iso 0 dist 7.93609 9.76823 8.33025 7.59919 8.1148 6.0987 13.7964 8.41807 9.2288 8.1715 numMergedOcc 0
80 mol 252 unq 2 iso 0 dist 7.93609 9.76823 8.33025 7.59919 8.1148 6.0987 16.2688 14.9102 7.19638 10.5136 numMergedOcc 0
81 mol 253 unq 0 iso 0 dist 7.26981 10.8952 8.31064 9.23512 7.32223 7.25988 13.2486 8.02948 6.73034 11.6434 numMergedOcc 0
82 mol 253 unq 1 iso 0 dist 9.02643 8.25257 8.31064 12.3948 7.32223 7.25988 8.68368 8.02948 6.73034 11.6434 numMergedOcc 0
83 mol 261 unq 0 iso 0 dist 8.17205 9.27298 8.43057 10.3933 8.02547 10.0727 15.127 10.1239 7.73141 14.2688 numMergedOcc 0
84 mol 261 unq 1 iso 0 dist 8.17205 9.27298 8.43057 7.8624 6.05727 4.63549 15.127 10.1239 7.73141 10.0703 numMergedOcc 0
85 mol 272 unq 0 iso 0 dist 7.31993 10.4451 8.46116 7.33684 9.97651 8.12676 12.3168 5.40809 8.33638 13.2494 numMergedOcc 0
