0 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 8.90024 5.06502 6.20293 13.9129 10.5523 8.13395 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.78532 5.84171 8.93915 8.90024 6.45462 6.20293 13.9129 14.7803 8.13395 8.80331 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 11.5591 6.9948 7.47541 13.0232 6.19965 5.42586 7.66905 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 9.9795 9.53239 7.97049 11.5591 6.9948 7.47541 11.5462 11.2656 6.87425 5.73196 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 9.9795 13.0232 6.19965 11.5591 6.9948 7.66905 9.53239 7.97049 5.42586 7.47541 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 9.9795 13.0232 6.19965 11.5591 6.9948 7.66905 11.5462 11.2656 10.1164 5.73196 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 12.3834 8.41707 8.03644 18.2173 16.9836 16.6055 9.03572 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.07365 14.1188 7.27724 12.3834 8.41707 8.03644 20.005 16.9811 13.8105 8.83255 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 7.90775 4.16047 9.03572 11.3191 16.6055 8.03644 9.68997 16.9836 8.41707 7.27724 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 9.50575 6.68557 5.11551 12.88 6.5838 7.11972 17.0176 11.4095 10.498 6.90986 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 8.43116 4.96719 5.11551 6.23645 6.5838 7.11972 6.47836 11.4095 10.498 6.90986 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 9.94179 6.70853 9.52634 12.2738 7.6656 7.24514 12.9948 13.4163 6.65743 8.22656 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 7.5055 10.9541 8.22656 13.494 6.65743 7.24514 12.507 10.0372 6.761 9.91388 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 7.5055 10.9541 8.22656 13.494 6.65743 7.24514 17.546 13.4163 7.6656 9.52634 numMergedOcc 0
14 mol 133 unq 3 iso 0 dist 8.66715 14.0905 7.11802 9.00172 8.18495 8.00618 13.2145 13.268 11.965 6.29155 numMergedOcc 0
15 mol 133 unq 4 iso 0 dist 8.66715 14.0905 7.11802 9.00172 8.18495 8.00618 15.719 12.6651 7.79672 6.80239 numMergedOcc 0
16 mol 133 unq 5 iso 0 dist 8.95433 11.0811 7.11802 13.7786 8.18495 8.00618 15.5873 13.268 11.965 6.29155 numMergedOcc 0
17 mol 133 unq 6 iso 0 dist 8.95433 11.0811 7.11802 13.7786 8.18495 8.00618 16.6429 12.6651 7.79672 6.80239 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 4.9155 5.79898 6.54501 10.879 9.93925 5.00526 6.49416 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 10.9216 5.49782 8.94367 16.7911 9.71307 6.81259 9.86662 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 8.84656 10.879 6.37586 4.9155 5.00817 6.49416 9.30817 9.5126 5.00526 6.54501 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 10.9216 5.49782 9.86662 10.879 6.37586 6.81259 8.94367 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 4.9155 10.879 6.49416 10.9216 8.80819 8.94367 16.7911 12.5075 6.81259 9.86662 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 4.9155 10.879 6.49416 8.84656 5.00817 6.37586 16.7911 12.5075 6.81259 9.71307 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 8.49987 10.9399 6.49416 14.7559 8.80819 8.94367 17.2658 12.5075 6.81259 9.86662 numMergedOcc 0
25 mol 134 unq 7 iso 0 dist 8.49987 10.9399 6.49416 13.0189 5.00817 6.37586 17.2658 12.5075 6.81259 9.71307 numMergedOcc 0
26 mol 134 unq 8 iso 0 dist 9.42271 7.07625 6.49416 9.79337 8.80819 8.94367 10.4858 12.5075 6.81259 9.86662 numMergedOcc 0
27 mol 134 unq 9 iso 0 dist 9.42271 7.07625 6.49416 10.5814 5.00817 6.37586 10.4858 12.5075 6.81259 9.71307 numMergedOcc 0
28 mol 134 unq 10 iso 0 dist 5.79157 13.0109 9.86662 9.87619 6.81259 8.94367 14.1608 9.71307 5.49782 6.37586 numMergedOcc 0
29 mol 134 unq 11 iso 0 dist 5.79157 13.0109 9.86662 9.87619 6.81259 8.94367 15.8368 12.5075 8.80819 6.49416 numMergedOcc 0
30 mol 134 unq 12 iso 0 dist 5.79157 14.1608 9.71307 9.87619 6.81259 6.37586 13.0109 9.86662 5.49782 8.94367 numMergedOcc 0
31 mol 134 unq 13 iso 0 dist 5.79157 14.1608 9.71307 9.87619 6.81259 6.37586 15.8368 12.5075 5.00817 6.49416 numMergedOcc 0
32 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 13.95 5.32922 5.31024 13.5268 7.73169 5.50998 7.26382 numMergedOcc 0
33 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 13.95 5.32922 7.26382 16.7609 9.2313 5.50998 5.31024 numMergedOcc 0
34 mol 142 unq 2 iso 0 dist 4.93681 12.8283 9.2313 9.86383 5.32922 5.31024 10.1677 7.73169 5.50998 7.26382 numMergedOcc 0
35 mol 142 unq 3 iso 0 dist 4.93681 10.1677 7.73169 9.86383 5.32922 7.26382 12.8283 9.2313 5.50998 5.31024 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 8.34839 10.5295 6.70283 12.6531 5.42328 5.87555 10.7929 7.16148 5.49936 8.87437 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 8.34839 10.5295 6.70283 14.5994 6.4896 8.67331 10.7929 7.16148 5.49936 8.05741 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 8.34839 10.7929 7.16148 12.6531 5.42328 8.87437 10.5295 6.70283 5.49936 5.87555 numMergedOcc 0
39 mol 152 unq 3 iso 0 dist 8.34839 10.7929 7.16148 14.5994 6.4896 8.05741 10.5295 6.70283 5.49936 8.67331 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 17.2412 13.2049 9.1374 16.6829 10.7062 8.88798 5.98885 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 9.74465 8.42326 8.03334 17.2412 13.2049 9.1374 19.9152 14.9794 12.1628 9.15386 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 8.27794 4.89429 9.09537 10.4189 10.1912 5.98885 11.7245 15.0228 8.88798 9.1374 numMergedOcc 0
43 mol 181 unq 3 iso 0 dist 8.27794 4.89429 9.09537 10.4189 10.1912 5.98885 7.49827 12.9862 5.16002 9.15386 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 10.7364 5.74635 8.87694 6.78177 10.7914 9.50685 9.09754 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 8.14754 7.43271 5.81334 10.5219 5.60236 5.78342 17.9249 14.0676 11.5372 8.95269 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 8.14754 7.43271 5.81334 10.5219 5.60236 5.78342 15.5444 10.5128 8.49799 6.57273 numMergedOcc 0
47 mol 224 unq 2 iso 0 dist 8.14754 7.43271 5.81334 14.3431 6.91102 9.16166 17.9507 10.9745 11.328 6.65832 numMergedOcc 0
48 mol 224 unq 3 iso 0 dist 8.14754 7.43271 5.81334 14.3431 6.91102 9.16166 15.5444 10.5128 8.49799 6.60589 numMergedOcc 0
49 mol 229 unq 0 iso 0 dist 6.32302 6.52416 8.22528 6.88694 5.57838 7.03423 11.1919 13.2905 6.84129 9.06952 numMergedOcc 0
50 mol 229 unq 1 iso 0 dist 8.53615 6.81165 8.22528 11.0334 5.57838 7.03423 13.1466 13.2905 6.84129 9.06952 numMergedOcc 0
51 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 11.8216 7.28249 9.81562 8.93012 6.84306 5.79505 7.68742 numMergedOcc 0
52 mol 236 unq 1 iso 0 dist 5.77925 6.59536 8.03456 11.8216 7.28249 9.81562 12.1686 9.99038 9.90963 6.27581 numMergedOcc 0
53 mol 236 unq 2 iso 0 dist 5.77925 8.93012 6.84306 11.8216 7.28249 7.68742 6.59536 8.03456 5.79505 9.81562 numMergedOcc 0
54 mol 236 unq 3 iso 0 dist 5.77925 8.93012 6.84306 11.8216 7.28249 7.68742 12.1686 9.99038 11.3368 6.27581 numMergedOcc 0
55 mol 236 unq 4 iso 0 dist 5.77925 12.1686 9.99038 11.8216 7.28249 6.27581 6.59536 8.03456 9.90963 9.81562 numMergedOcc 0
56 mol 236 unq 5 iso 0 dist 5.77925 12.1686 9.99038 11.8216 7.28249 6.27581 8.93012 6.84306 11.3368 7.68742 numMergedOcc 0
57 mol 236 unq 6 iso 0 dist 8.95071 18.4732 9.99038 16.0063 9.90963 8.03456 12.8358 6.27581 7.28249 9.81562 numMergedOcc 0
58 mol 236 unq 7 iso 0 dist 8.95071 18.4732 9.99038 17.4517 11.3368 6.84306 12.8358 6.27581 7.28249 7.68742 numMergedOcc 0
59 mol 236 unq 8 iso 0 dist 8.95071 18.4732 9.99038 19.2865 10.7497 8.35971 24.4759 15.7308 7.43758 8.04248 numMergedOcc 0
60 mol 236 unq 9 iso 0 dist 8.95071 12.8358 6.27581 16.0063 9.90963 9.81562 18.4732 9.99038 7.28249 8.03456 numMergedOcc 0
61 mol 236 unq 10 iso 0 dist 8.95071 12.8358 6.27581 17.4517 11.3368 7.68742 18.4732 9.99038 7.28249 6.84306 numMergedOcc 0
62 mol 252 unq 0 iso 0 dist 6.17985 6.79111 8.1148 11.8637 8.41807 8.1715 6.02958 8.33025 6.0987 9.2288 numMergedOcc 0
63 mol 252 unq 1 iso 0 dist 6.17985 6.02958 8.33025 11.8637 8.41807 9.2288 6.79111 8.1148 6.0987 8.1715 numMergedOcc 0
64 mol 253 unq 0 iso 0 dist 7.38315 10.6994 7.32223 13.8059 7.25988 8.31064 16.0781 11.6434 8.02948 6.73034 numMergedOcc 0
