0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 8.09311 11.6226 6.17155 9.94429 10.0952 6.86014 12.5077 10.7114 16.0162 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 9.05357 13.1949 10.3122 6.88355 10.0952 6.86014 12.5077 10.7114 16.8554 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 7.95042 5.11636 5.69214 4.47891 6.44287 8.38394 12.5077 9.0934 10.9819 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.60739 9.06158 5.64171 6.75943 5.41726 4.96926 4.55347 8.13395 8.80331 10.5523 9.93832 6.6263 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 8.60739 9.06158 11.3891 6.75943 5.41726 10.0383 4.55347 8.13395 8.80331 14.7803 9.93832 6.6263 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 9.44459 5.73693 11.6164 9.33906 6.42339 5.1274 10.7651 5.24762 6.43774 11.2563 6.06454 11.5679 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 7.04044 8.26458 15.7304 9.73086 5.70116 17.4121 7.8972 5.4148 6.19304 10.2049 8.73253 7.4369 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 7.04044 8.26458 15.7304 9.73086 5.70116 17.4121 7.8972 14.9342 8.70481 20.257 10.3244 12.8207 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 9.96396 9.75218 12.016 7.04044 8.26458 8.35241 9.73086 5.70116 14.844 7.8972 5.4148 6.19304 11.6369 8.73253 7.4369 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 7.04044 8.26458 8.35241 9.73086 5.70116 14.844 7.8972 14.9342 8.70481 10.1207 10.3244 12.8207 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.33422 7.91778 6.82174 7.7068 4.41789 6.36397 6.33204 5.42586 7.97049 11.3023 12.3486 10.2413 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.33422 7.91778 10.121 7.7068 4.41789 5.59906 6.33204 5.42586 7.97049 7.47541 12.3486 10.2413 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 7.33422 10.121 6.82174 7.7068 5.59906 6.36397 6.33204 5.42586 7.47541 11.3023 12.3486 10.2413 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 7.66905 7.95579 10.7229 7.33422 10.121 6.82174 7.7068 5.59906 6.36397 6.33204 10.1164 5.73196 15.309 14.9249 11.2056 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 7.66905 6.19965 6.9948 7.33422 10.121 7.91778 7.7068 5.59906 4.41789 6.33204 5.42586 7.47541 7.97049 12.3486 10.2413 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 7.66905 6.19965 6.9948 7.33422 10.121 7.91778 7.7068 5.59906 4.41789 6.33204 10.1164 5.73196 11.2656 14.9249 11.2056 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 7.82475 5.9143 5.43561 11.3766 8.8807 6.65086 10.1409 17.8663 11.9928 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 7.82475 5.9143 5.43561 11.3766 12.6515 6.56369 11.8665 20.2183 10.694 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 7.82475 5.9143 5.43561 11.3766 13.887 9.30209 13.912 22.6977 14.966 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 5.35782 5.47563 6.30222 10.5056 8.8807 6.65086 10.1409 17.8663 9.94341 numMergedOcc 0
20 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 5.35782 5.47563 6.30222 10.5056 12.6515 6.56369 11.8665 20.2183 9.82522 numMergedOcc 0
21 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 9.00544 14.9392 11.8512 5.35782 5.47563 6.30222 10.5056 13.887 9.30209 13.912 22.6977 13.4844 numMergedOcc 0
22 mol 100 unq 6 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 7.82475 5.9143 5.43561 13.4027 8.8807 6.65086 10.1409 12.6061 11.9928 numMergedOcc 0
23 mol 100 unq 7 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 7.82475 5.9143 5.43561 13.4027 12.6515 6.56369 11.8665 18.4011 10.694 numMergedOcc 0
24 mol 100 unq 8 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 7.82475 5.9143 5.43561 13.4027 13.887 9.30209 13.912 17.8494 14.966 numMergedOcc 0
25 mol 100 unq 9 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 5.35782 5.47563 6.30222 12.068 8.8807 6.65086 10.1409 12.6061 9.94341 numMergedOcc 0
26 mol 100 unq 10 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 5.35782 5.47563 6.30222 12.068 12.6515 6.56369 11.8665 18.4011 9.82522 numMergedOcc 0
27 mol 100 unq 11 iso 0 dist 7.47343 6.45675 5.33144 7.12017 12.6602 9.52882 5.35782 5.47563 6.30222 12.068 13.887 9.30209 13.912 17.8494 13.4844 numMergedOcc 0
28 mol 100 unq 12 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 7.82475 5.9143 5.25234 11.3766 8.8807 6.65086 14.9102 17.8663 11.9928 numMergedOcc 0
29 mol 100 unq 13 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 7.82475 5.9143 5.25234 11.3766 12.6515 6.56369 13.6959 20.2183 10.694 numMergedOcc 0
30 mol 100 unq 14 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 7.82475 5.9143 5.25234 11.3766 13.887 9.30209 18.2109 22.6977 14.966 numMergedOcc 0
31 mol 100 unq 15 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 5.35782 5.47563 5.03232 10.5056 8.8807 6.65086 14.9102 17.8663 9.94341 numMergedOcc 0
32 mol 100 unq 16 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 5.35782 5.47563 5.03232 10.5056 12.6515 6.56369 13.6959 20.2183 9.82522 numMergedOcc 0
33 mol 100 unq 17 iso 0 dist 7.47343 8.86688 10.1407 9.00544 14.9392 9.01214 5.35782 5.47563 5.03232 10.5056 13.887 9.30209 18.2109 22.6977 13.4844 numMergedOcc 0
34 mol 100 unq 18 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 7.82475 5.9143 5.25234 13.4027 8.8807 6.65086 14.9102 12.6061 11.9928 numMergedOcc 0
35 mol 100 unq 19 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 7.82475 5.9143 5.25234 13.4027 12.6515 6.56369 13.6959 18.4011 10.694 numMergedOcc 0
36 mol 100 unq 20 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 7.82475 5.9143 5.25234 13.4027 13.887 9.30209 18.2109 17.8494 14.966 numMergedOcc 0
37 mol 100 unq 21 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 5.35782 5.47563 5.03232 12.068 8.8807 6.65086 14.9102 12.6061 9.94341 numMergedOcc 0
38 mol 100 unq 22 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 5.35782 5.47563 5.03232 12.068 12.6515 6.56369 13.6959 18.4011 9.82522 numMergedOcc 0
39 mol 100 unq 23 iso 0 dist 7.47343 8.86688 10.1407 7.12017 12.6602 14.8674 5.35782 5.47563 5.03232 12.068 13.887 9.30209 18.2109 17.8494 13.4844 numMergedOcc 0
40 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 7.69765 4.48636 10.3209 7.27912 7.69052 9.33865 13.8473 10.9734 13.4105 numMergedOcc 0
41 mol 115 unq 1 iso 0 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 9.42082 6.63111 15.3161 10.5109 7.69052 9.33865 13.8473 10.9734 6.39384 numMergedOcc 0
42 mol 115 unq 2 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 7.69765 4.48636 11.835 7.27912 7.69052 9.33865 6.11741 10.9734 13.4105 numMergedOcc 0
43 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 9.42082 6.63111 6.07067 10.5109 7.69052 9.33865 6.11741 10.9734 6.39384 numMergedOcc 0
44 mol 115 unq 4 iso 0 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 7.69765 11.835 10.3209 7.27912 7.69052 6.11741 13.8473 10.9734 13.4105 numMergedOcc 0
45 mol 115 unq 5 iso 0 dist 7.88312 7.30858 11.5723 5.72642 7.3094 5.61704 9.42082 6.07067 15.3161 10.5109 7.69052 6.11741 13.8473 10.9734 6.39384 numMergedOcc 0
46 mol 115 unq 6 iso 0 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 7.69765 11.835 4.48636 7.27912 7.69052 6.11741 9.33865 10.9734 13.4105 numMergedOcc 0
47 mol 115 unq 7 iso 0 dist 7.88312 5.83991 8.02349 5.72642 7.3094 6.4497 9.42082 6.07067 6.63111 10.5109 7.69052 6.11741 9.33865 10.9734 6.39384 numMergedOcc 0
48 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 7.21868 8.06642 4.00092 4.935 5.49782 6.37586 9.71307 10.873 7.93372 numMergedOcc 0
49 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 7.21868 8.06642 4.00092 4.935 8.80819 6.49416 12.5075 13.846 11.988 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 7.21868 4.00092 8.06642 4.935 5.49782 9.71307 6.37586 10.873 7.93372 numMergedOcc 0
51 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 9.17106 12.6057 8.38032 7.81207 4.67662 5.81599 9.38687 5.32922 5.31024 7.26382 12.432 6.14151 numMergedOcc 0
52 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 9.17106 12.6057 8.38032 7.18002 13.5913 9.99555 11.093 5.32922 5.31024 7.26382 12.432 10.7696 numMergedOcc 0
53 mol 142 unq 2 iso 0 dist 9.2313 8.96657 11.1395 9.17106 12.6057 8.16815 7.81207 4.67662 11.1 9.38687 5.32922 5.31024 11.0824 12.432 6.14151 numMergedOcc 0
54 mol 142 unq 3 iso 0 dist 9.2313 8.96657 11.1395 9.17106 12.6057 8.16815 7.18002 13.5913 6.52253 11.093 5.32922 5.31024 11.0824 12.432 10.7696 numMergedOcc 0
55 mol 142 unq 4 iso 0 dist 7.73169 9.2313 5.50998 9.17106 8.38032 12.6057 7.81207 5.81599 4.67662 9.38687 5.32922 7.26382 5.31024 12.432 6.14151 numMergedOcc 0
56 mol 142 unq 5 iso 0 dist 7.73169 9.2313 5.50998 9.17106 8.38032 12.6057 7.18002 9.99555 13.5913 11.093 5.32922 7.26382 5.31024 12.432 10.7696 numMergedOcc 0
57 mol 142 unq 6 iso 0 dist 7.73169 8.96657 5.92693 9.17106 8.38032 8.16815 7.81207 5.81599 11.1 9.38687 5.32922 7.26382 11.0824 12.432 6.14151 numMergedOcc 0
58 mol 142 unq 7 iso 0 dist 7.73169 8.96657 5.92693 9.17106 8.38032 8.16815 7.18002 9.99555 6.52253 11.093 5.32922 7.26382 11.0824 12.432 10.7696 numMergedOcc 0
59 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.28642 5.70788 9.35627 6.70693 4.94983 5.39112 4.71678 5.49936 8.87437 7.16148 13.1536 10.4895 numMergedOcc 0
60 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 8.28642 5.70788 11.2078 6.70693 4.94983 9.67475 4.71678 5.49936 8.87437 8.05741 13.1536 10.4895 numMergedOcc 0
61 mol 152 unq 2 iso 0 dist 6.70283 5.87555 5.42328 8.28642 9.35627 5.70788 6.70693 5.39112 4.94983 4.71678 7.65448 8.56324 10.399 9.77552 6.59889 numMergedOcc 0
62 mol 152 unq 3 iso 0 dist 6.70283 5.87555 5.42328 8.28642 9.35627 5.70788 6.70693 5.39112 4.94983 4.71678 5.49936 7.16148 8.87437 13.1536 10.4895 numMergedOcc 0
63 mol 152 unq 4 iso 0 dist 6.70283 8.67331 6.4896 8.28642 9.35627 11.2078 6.70693 5.39112 9.67475 4.71678 7.65448 8.56324 14.1618 9.77552 6.59889 numMergedOcc 0
64 mol 152 unq 5 iso 0 dist 6.70283 8.67331 6.4896 8.28642 9.35627 11.2078 6.70693 5.39112 9.67475 4.71678 5.49936 7.16148 8.05741 13.1536 10.4895 numMergedOcc 0
65 mol 152 unq 6 iso 0 dist 8.67331 5.87555 5.54906 8.28642 11.2078 5.70788 6.70693 9.67475 4.94983 4.71678 5.49936 8.05741 8.87437 13.1536 10.4895 numMergedOcc 0
66 mol 152 unq 7 iso 0 dist 8.67331 6.70283 6.4896 8.28642 11.2078 9.35627 6.70693 9.67475 5.39112 4.71678 5.49936 8.05741 7.16148 13.1536 10.4895 numMergedOcc 0
67 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 5.23634 5.0317 5.83175 7.3164 6.99063 9.34734 10.4905 12.9778 10.7855 numMergedOcc 0
68 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 5.23634 5.0317 5.83175 7.3164 5.22356 8.65997 10.8157 5.4694 6.91318 numMergedOcc 0
69 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 5.23634 5.0317 5.83175 7.3164 10.8658 7.56888 11.0431 13.9676 11.2661 numMergedOcc 0
70 mol 227 unq 3 iso 0 dist 7.22101 7.09863 4.39704 8.38865 11.0628 12.9587 5.23634 5.0317 5.83175 7.3164 12.4689 7.55216 10.0334 16.9219 12.3663 numMergedOcc 0
71 mol 229 unq 0 iso 0 dist 7.03423 8.22528 5.57838 8.92743 9.62106 11.6847 7.27993 7.22525 5.70473 6.93188 6.84129 9.06952 13.2905 9.45972 11.9869 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.5366 5.63086 5.6819 7.81215 12.4252 5.75498 11.0592 5.88703 6.56247 9.36357 8.24186 11.6391 numMergedOcc 0
73 mol 234 unq 1 iso 0 dist 6.7625 9.45496 7.82322 7.5366 5.6819 5.63086 7.81215 5.75498 12.4252 11.0592 5.88703 9.36357 6.56247 8.24186 11.6391 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 8.50331 7.22918 9.05842 9.3206 4.27181 4.89609 5.59363 7.28249 8.03456 6.84306 11.9847 10.1317 numMergedOcc 0
75 mol 236 unq 1 iso 0 dist 9.81562 6.27581 9.90963 8.50331 7.22918 7.00028 9.3206 4.27181 10.5774 5.59363 7.28249 8.03456 9.99038 11.9847 10.1317 numMergedOcc 0
76 mol 236 unq 2 iso 0 dist 7.68742 9.81562 5.79505 8.50331 9.05842 7.22918 9.3206 4.89609 4.27181 5.59363 7.28249 6.84306 8.03456 11.9847 10.1317 numMergedOcc 0
77 mol 236 unq 3 iso 0 dist 7.68742 6.27581 11.3368 8.50331 9.05842 7.00028 9.3206 4.89609 10.5774 5.59363 7.28249 6.84306 9.99038 11.9847 10.1317 numMergedOcc 0
78 mol 236 unq 4 iso 0 dist 6.27581 9.81562 9.90963 8.50331 7.00028 7.22918 9.3206 10.5774 4.27181 5.59363 7.28249 9.99038 8.03456 11.9847 10.1317 numMergedOcc 0
79 mol 236 unq 5 iso 0 dist 6.27581 7.68742 11.3368 8.50331 7.00028 9.05842 9.3206 10.5774 4.89609 5.59363 7.28249 9.99038 6.84306 11.9847 10.1317 numMergedOcc 0
