0 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 9.59856 5.32694 7.63133 11.958 10.9143 10.8455 6.31718 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 10.615 8.13395 6.20293 7.74524 10.5523 5.06502 5.73819 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.17086 5.90113 8.80331 10.615 8.13395 6.20293 10.5661 14.7803 6.45462 8.93915 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.1112 5.4148 9.96396 5.33851 10.2049 15.7123 9.38498 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 10.1112 5.4148 9.96396 15.7164 11.6369 12.016 9.75218 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 11.0108 14.9342 9.96396 13.6586 20.257 15.7123 9.38498 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 11.0108 14.9342 9.96396 4.15333 10.1207 12.016 9.75218 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 20.562 14.9342 9.96396 23.2281 20.257 15.7123 9.38498 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 8.27015 12.6626 8.70481 20.562 14.9342 9.96396 16.1582 10.1207 12.016 9.75218 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 13.2962 6.9948 7.97049 13.5384 7.66905 5.42586 6.19965 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 13.2962 6.9948 6.19965 11.609 7.47541 5.42586 7.97049 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 15.3021 8.8807 6.65086 13.0951 12.0662 5.88134 9.60661 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 18.6091 12.6515 6.56369 13.0951 12.0662 5.88134 9.35224 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 9.56324 16.8752 7.47343 17.1897 8.8807 6.65086 21.5364 12.0662 5.88134 9.60661 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 21.2171 12.6515 6.56369 21.5364 12.0662 5.88134 9.35224 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 5.85449 10.1409 8.8807 6.65086 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 7.68675 11.8665 12.6515 6.56369 numMergedOcc 0
17 mol 100 unq 6 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 9.53223 13.912 13.887 9.30209 numMergedOcc 0
18 mol 100 unq 7 iso 0 dist 5.70279 5.85449 6.65086 11.3277 5.88134 9.60661 14.5809 10.5134 11.5403 7.17106 numMergedOcc 0
19 mol 100 unq 8 iso 0 dist 5.70279 5.85449 6.65086 11.3277 5.88134 9.60661 7.68675 6.56369 7.80879 9.35224 numMergedOcc 0
20 mol 100 unq 9 iso 0 dist 5.70279 7.68675 6.56369 11.3277 5.88134 9.35224 5.85449 6.65086 7.80879 9.60661 numMergedOcc 0
21 mol 100 unq 10 iso 0 dist 5.70279 7.68675 6.56369 11.3277 5.88134 9.35224 14.5809 10.5134 8.87654 7.17106 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 12.9647 7.69052 5.83991 16.4507 13.8473 10.8507 7.30858 numMergedOcc 0
23 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 12.9647 7.69052 5.83991 5.19652 6.11741 8.02349 7.88312 numMergedOcc 0
24 mol 115 unq 2 iso 0 dist 8.97043 5.19652 6.11741 12.9647 7.69052 7.88312 16.4507 13.8473 11.5723 7.30858 numMergedOcc 0
25 mol 115 unq 3 iso 0 dist 8.97043 5.19652 6.11741 12.9647 7.69052 7.88312 11.8721 9.33865 8.02349 5.83991 numMergedOcc 0
26 mol 115 unq 4 iso 0 dist 6.55511 6.00348 7.11972 12.6252 10.498 6.90986 11.3303 11.8863 5.67807 5.39945 numMergedOcc 0
27 mol 115 unq 5 iso 0 dist 8.46684 5.14332 6.90986 9.47822 10.498 7.11972 6.23018 11.4095 6.5838 5.11551 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 11.6152 13.1058 7.90328 11.8951 16.5575 7.22206 7.83136 numMergedOcc 0
29 mol 117 unq 1 iso 0 dist 8.81172 5.34484 9.84395 11.6152 13.1058 7.90328 11.7058 17.163 9.3584 7.0603 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 16.8376 7.6656 9.52634 19.1719 12.0352 9.56949 6.5107 numMergedOcc 0
31 mol 133 unq 1 iso 0 dist 8.43069 7.33132 6.82262 9.79004 5.61668 8.22656 10.0277 10.2995 6.65743 7.24514 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.3933 5.49782 8.94367 12.0971 9.71307 6.81259 9.86662 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 5.57904 5.00817 6.49416 7.41837 9.5126 5.00526 6.54501 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 12.3933 5.49782 9.86662 6.50005 6.37586 6.81259 8.94367 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 12.3933 8.80819 8.94367 12.0971 12.5075 6.81259 9.86662 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 7.27598 5.00817 6.37586 12.0971 12.5075 6.81259 9.71307 numMergedOcc 0
37 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 10.5719 5.50998 7.73169 5.50176 5.31024 5.32922 7.26382 numMergedOcc 0
38 mol 142 unq 1 iso 0 dist 7.15087 5.50176 5.31024 10.5719 5.50998 7.26382 8.68855 9.2313 5.32922 7.73169 numMergedOcc 0
39 mol 142 unq 2 iso 0 dist 9.14908 6.3846 5.31024 10.9228 5.32922 9.2313 4.39297 7.26382 5.50998 7.73169 numMergedOcc 0
40 mol 142 unq 3 iso 0 dist 9.14908 6.3846 5.31024 10.9228 5.32922 9.2313 7.34484 11.0824 11.1395 8.96657 numMergedOcc 0
41 mol 142 unq 4 iso 0 dist 9.14908 4.39297 7.26382 10.9228 5.32922 7.73169 6.3846 5.31024 5.50998 9.2313 numMergedOcc 0
42 mol 142 unq 5 iso 0 dist 9.14908 4.39297 7.26382 10.9228 5.32922 7.73169 7.34484 11.0824 5.92693 8.96657 numMergedOcc 0
43 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 12.7322 7.66392 7.46303 13.1804 10.2463 5.71071 6.23493 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 7.11647 5.56175 8.94056 5.59399 12.0598 10.1658 7.66148 numMergedOcc 0
45 mol 156 unq 1 iso 0 dist 9.68507 9.75709 7.66148 10.2339 10.1658 8.94056 11.0374 12.0598 5.56175 7.44554 numMergedOcc 0
46 mol 156 unq 2 iso 0 dist 9.68507 9.75709 7.66148 10.2339 10.1658 8.94056 7.90642 15.1382 11.2719 9.83699 numMergedOcc 0
47 mol 156 unq 3 iso 0 dist 7.98018 4.68187 9.83699 11.8093 11.2719 8.94056 12.2852 15.1382 10.1658 7.66148 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 10.3907 8.88798 5.98885 13.526 15.0228 10.1912 9.09537 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 10.1632 5.0744 6.60589 8.98459 10.103 6.77699 6.65832 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 9.73411 9.81806 6.57273 10.1632 5.0744 6.60589 5.99647 5.78342 8.49799 9.16166 numMergedOcc 0
51 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 10.1632 5.0744 9.16166 8.98459 10.103 11.328 6.65832 numMergedOcc 0
52 mol 224 unq 3 iso 0 dist 9.73411 5.99647 5.78342 10.1632 5.0744 9.16166 9.81806 6.57273 8.49799 6.60589 numMergedOcc 0
53 mol 224 unq 4 iso 0 dist 7.75485 5.99647 5.81334 9.73411 5.60236 5.78342 14.1073 14.0676 11.5372 8.95269 numMergedOcc 0
54 mol 224 unq 5 iso 0 dist 7.75485 5.99647 5.81334 9.73411 5.60236 5.78342 9.81806 10.5128 8.49799 6.57273 numMergedOcc 0
55 mol 224 unq 6 iso 0 dist 7.75485 5.99647 5.81334 10.1632 6.91102 9.16166 8.98459 10.9745 11.328 6.65832 numMergedOcc 0
56 mol 224 unq 7 iso 0 dist 7.75485 5.99647 5.81334 10.1632 6.91102 9.16166 9.81806 10.5128 8.49799 6.60589 numMergedOcc 0
57 mol 224 unq 8 iso 0 dist 7.07564 10.8463 6.57273 12.0295 5.0744 6.60589 15.6183 10.103 6.77699 6.65832 numMergedOcc 0
58 mol 224 unq 9 iso 0 dist 7.07564 10.8463 6.57273 12.0295 5.0744 6.60589 5.44863 5.78342 8.49799 9.16166 numMergedOcc 0
59 mol 224 unq 10 iso 0 dist 7.07564 5.44863 5.78342 12.0295 5.0744 9.16166 15.6183 10.103 11.328 6.65832 numMergedOcc 0
60 mol 224 unq 11 iso 0 dist 7.07564 5.44863 5.78342 12.0295 5.0744 9.16166 10.8463 6.57273 8.49799 6.60589 numMergedOcc 0
61 mol 224 unq 12 iso 0 dist 9.11052 5.44863 5.81334 7.07564 5.60236 5.78342 11.8217 14.0676 11.5372 8.95269 numMergedOcc 0
62 mol 224 unq 13 iso 0 dist 9.11052 5.44863 5.81334 7.07564 5.60236 5.78342 10.8463 10.5128 8.49799 6.57273 numMergedOcc 0
63 mol 224 unq 14 iso 0 dist 9.11052 5.44863 5.81334 12.0295 6.91102 9.16166 15.6183 10.9745 11.328 6.65832 numMergedOcc 0
64 mol 224 unq 15 iso 0 dist 9.11052 5.44863 5.81334 12.0295 6.91102 9.16166 10.8463 10.5128 8.49799 6.60589 numMergedOcc 0
65 mol 227 unq 0 iso 0 dist 7.71761 5.841 7.55216 12.9898 12.4689 7.22101 7.74349 10.0334 4.39704 7.09863 numMergedOcc 0
66 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 5.00457 5.57838 7.03423 6.23084 13.2905 6.84129 9.06952 numMergedOcc 0
67 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 13.7964 8.41807 8.1715 9.76823 8.33025 6.0987 9.2288 numMergedOcc 0
68 mol 252 unq 1 iso 0 dist 7.93609 9.76823 8.33025 13.7964 8.41807 9.2288 7.59919 8.1148 6.0987 8.1715 numMergedOcc 0
69 mol 253 unq 0 iso 0 dist 8.68368 8.25257 6.73034 9.02643 8.02948 8.31064 12.3948 11.6434 7.25988 7.32223 numMergedOcc 0
70 mol 259 unq 0 iso 0 dist 5.75874 5.20592 8.53687 10.9903 10.582 8.13497 6.80302 10.5767 4.69778 7.88519 numMergedOcc 0
71 mol 261 unq 0 iso 0 dist 9.95681 5.79827 8.02547 10.8774 10.0727 8.43057 8.69153 14.2688 10.1239 7.73141 numMergedOcc 0
72 mol 261 unq 1 iso 0 dist 9.05762 5.79827 6.05727 10.8774 4.63549 8.43057 8.69153 10.0703 10.1239 7.73141 numMergedOcc 0
