0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 8.71745 10.4155 5.74188 6.56335 10.454 6.70071 4.50891 10.8455 6.31718 10.9143 16.4009 15.6697 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 8.71745 10.4155 5.46498 5.32694 5.74188 6.56335 10.454 4.50891 6.70071 10.8455 6.31718 16.4009 10.9143 15.6697 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 6.92532 5.18512 12.3486 9.47529 7.67038 8.4674 10.4091 4.51865 10.1882 numMergedOcc 0
3 mol 19 unq 0 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 6.92532 5.18512 9.47529 12.3486 7.67038 8.4674 4.51865 10.4091 10.1882 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 6.864 5.80928 7.07775 6.92532 5.18512 12.3486 9.47529 5.03957 7.82074 12.1187 11.0366 6.36455 numMergedOcc 0
5 mol 19 unq 1 iso 1 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 6.92532 5.18512 9.47529 12.3486 5.03957 7.82074 11.0366 12.1187 6.36455 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.864 7.20519 7.07775 4.54938 5.80928 7.34551 6.92532 9.47529 12.3486 5.18512 7.67038 4.51865 10.4091 8.4674 10.1882 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 6.92532 9.47529 5.18512 12.3486 7.67038 4.51865 8.4674 10.4091 10.1882 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.60739 9.06158 5.64171 11.3891 8.13395 8.80331 10.5523 14.7803 9.93832 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 6.20293 8.93915 6.45462 5.73819 5.06502 5.89973 8.60739 9.06158 11.3891 5.64171 8.13395 8.80331 14.7803 10.5523 9.93832 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 7.04044 8.26458 15.7304 8.35241 5.4148 6.19304 10.2049 11.6369 8.73253 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 7.04044 8.26458 8.35241 15.7304 5.4148 6.19304 11.6369 10.2049 8.73253 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 9.75218 12.016 13.7412 7.04044 8.26458 15.7304 8.35241 14.9342 8.70481 20.257 10.1207 10.3244 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 9.96396 9.75218 12.016 9.38498 15.7123 13.7412 7.04044 8.26458 8.35241 15.7304 14.9342 8.70481 10.1207 20.257 10.3244 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 7.33422 7.91778 6.82174 10.121 5.42586 7.97049 11.3023 7.47541 12.3486 numMergedOcc 0
15 mol 85 unq 0 iso 1 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 7.33422 7.91778 10.121 6.82174 5.42586 7.97049 7.47541 11.3023 12.3486 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.33422 10.121 6.82174 7.91778 5.42586 7.47541 11.3023 7.97049 12.3486 numMergedOcc 0
17 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.33422 10.121 7.91778 6.82174 5.42586 7.47541 7.97049 11.3023 12.3486 numMergedOcc 0
18 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 7.33422 10.121 6.82174 7.91778 10.1164 5.73196 15.309 11.2656 14.9249 numMergedOcc 0
19 mol 85 unq 2 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 7.33422 10.121 7.91778 6.82174 10.1164 5.73196 11.2656 15.309 14.9249 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 9.00544 14.9392 11.8512 9.01214 8.8807 6.65086 10.1409 14.9102 17.8663 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 9.00544 14.9392 9.01214 11.8512 8.8807 6.65086 14.9102 10.1409 17.8663 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 9.00544 14.9392 11.8512 9.01214 12.6515 6.56369 11.8665 13.6959 20.2183 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 9.00544 14.9392 9.01214 11.8512 12.6515 6.56369 13.6959 11.8665 20.2183 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 9.00544 14.9392 11.8512 9.01214 13.887 9.30209 13.912 18.2109 22.6977 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 9.00544 14.9392 9.01214 11.8512 13.887 9.30209 18.2109 13.912 22.6977 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.12017 12.6602 9.52882 14.8674 8.8807 6.65086 10.1409 14.9102 12.6061 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.12017 12.6602 14.8674 9.52882 8.8807 6.65086 14.9102 10.1409 12.6061 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.12017 12.6602 9.52882 14.8674 12.6515 6.56369 11.8665 13.6959 18.4011 numMergedOcc 0
29 mol 100 unq 4 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.12017 12.6602 14.8674 9.52882 12.6515 6.56369 13.6959 11.8665 18.4011 numMergedOcc 0
30 mol 100 unq 5 iso 0 dist 7.47343 6.45675 5.33144 8.86688 10.1407 9.71151 7.12017 12.6602 9.52882 14.8674 13.887 9.30209 13.912 18.2109 17.8494 numMergedOcc 0
31 mol 100 unq 5 iso 1 dist 7.47343 8.86688 10.1407 6.45675 5.33144 9.71151 7.12017 12.6602 14.8674 9.52882 13.887 9.30209 18.2109 13.912 17.8494 numMergedOcc 0
32 mol 115 unq 0 iso 0 dist 5.83991 7.30858 10.8507 7.88312 8.02349 11.5723 5.72642 6.4497 5.61704 7.3094 7.69052 9.33865 13.8473 6.11741 10.9734 numMergedOcc 0
33 mol 115 unq 0 iso 1 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 5.72642 6.4497 7.3094 5.61704 7.69052 9.33865 6.11741 13.8473 10.9734 numMergedOcc 0
34 mol 115 unq 1 iso 0 dist 7.88312 7.30858 11.5723 5.83991 8.02349 10.8507 5.72642 7.3094 5.61704 6.4497 7.69052 6.11741 13.8473 9.33865 10.9734 numMergedOcc 0
35 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 5.72642 7.3094 6.4497 5.61704 7.69052 6.11741 9.33865 13.8473 10.9734 numMergedOcc 0
36 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 9.17106 12.6057 8.38032 8.16815 5.32922 5.31024 7.26382 11.0824 12.432 numMergedOcc 0
37 mol 142 unq 0 iso 1 dist 9.2313 8.96657 11.1395 7.73169 5.50998 5.92693 9.17106 12.6057 8.16815 8.38032 5.32922 5.31024 11.0824 7.26382 12.432 numMergedOcc 0
38 mol 142 unq 1 iso 0 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 9.17106 8.38032 12.6057 8.16815 5.32922 7.26382 5.31024 11.0824 12.432 numMergedOcc 0
39 mol 142 unq 1 iso 1 dist 7.73169 8.96657 5.92693 9.2313 5.50998 11.1395 9.17106 8.38032 8.16815 12.6057 5.32922 7.26382 11.0824 5.31024 12.432 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 8.28642 5.70788 9.35627 11.2078 5.49936 8.87437 7.16148 8.05741 13.1536 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 8.28642 5.70788 11.2078 9.35627 5.49936 8.87437 8.05741 7.16148 13.1536 numMergedOcc 0
42 mol 152 unq 1 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 8.28642 9.35627 5.70788 11.2078 7.65448 8.56324 10.399 14.1618 9.77552 numMergedOcc 0
43 mol 152 unq 1 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 8.28642 9.35627 11.2078 5.70788 7.65448 8.56324 14.1618 10.399 9.77552 numMergedOcc 0
44 mol 152 unq 2 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 8.28642 9.35627 5.70788 11.2078 5.49936 7.16148 8.87437 8.05741 13.1536 numMergedOcc 0
45 mol 152 unq 2 iso 1 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 8.28642 9.35627 11.2078 5.70788 5.49936 7.16148 8.05741 8.87437 13.1536 numMergedOcc 0
46 mol 152 unq 3 iso 0 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 8.28642 11.2078 5.70788 9.35627 5.49936 8.05741 8.87437 7.16148 13.1536 numMergedOcc 0
47 mol 152 unq 3 iso 1 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 8.28642 11.2078 9.35627 5.70788 5.49936 8.05741 7.16148 8.87437 13.1536 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 9.15386 12.1628 5.16002 6.51749 13.8722 5.93488 7.64267 13.2049 8.03334 10.7062 14.9794 15.2991 numMergedOcc 0
49 mol 181 unq 0 iso 1 dist 9.1374 9.15386 12.1628 5.98885 8.88798 5.16002 6.51749 13.8722 7.64267 5.93488 13.2049 8.03334 14.9794 10.7062 15.2991 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 5.98885 9.1374 8.88798 9.15386 5.16002 12.1628 6.51749 5.93488 13.8722 7.64267 10.1912 9.09537 15.0228 12.9862 7.20392 numMergedOcc 0
51 mol 181 unq 1 iso 1 dist 5.98885 9.15386 5.16002 9.1374 8.88798 12.1628 6.51749 5.93488 7.64267 13.8722 10.1912 9.09537 12.9862 15.0228 7.20392 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 8.03442 10.5813 10.2525 7.22396 4.39704 7.09863 10.4905 10.8157 12.2278 numMergedOcc 0
53 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 8.03442 10.5813 7.22396 10.2525 4.39704 7.09863 10.8157 10.4905 12.2278 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 8.03442 10.5813 10.2525 6.10296 4.39704 7.09863 10.4905 11.0431 12.2278 numMergedOcc 0
55 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 8.03442 10.5813 6.10296 10.2525 4.39704 7.09863 11.0431 10.4905 12.2278 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 8.03442 10.5813 10.2525 9.69537 4.39704 7.09863 10.4905 10.0334 12.2278 numMergedOcc 0
57 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 8.03442 10.5813 9.69537 10.2525 4.39704 7.09863 10.0334 10.4905 12.2278 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 8.03442 10.5813 7.22396 6.10296 4.39704 7.09863 10.8157 11.0431 12.2278 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 8.03442 10.5813 6.10296 7.22396 4.39704 7.09863 11.0431 10.8157 12.2278 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 8.03442 10.5813 7.22396 9.69537 4.39704 7.09863 10.8157 10.0334 12.2278 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 8.03442 10.5813 9.69537 7.22396 4.39704 7.09863 10.0334 10.8157 12.2278 numMergedOcc 0
62 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 8.03442 10.5813 6.10296 9.69537 4.39704 7.09863 11.0431 10.0334 12.2278 numMergedOcc 0
63 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 8.03442 10.5813 9.69537 6.10296 4.39704 7.09863 10.0334 11.0431 12.2278 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 6.56247 8.34494 6.29886 9.36357 7.82322 12.1694 8.24186 5.63086 11.7705 5.6819 5.88703 9.45496 12.9605 6.7625 7.5366 numMergedOcc 0
65 mol 234 unq 0 iso 1 dist 6.56247 9.36357 7.82322 8.34494 6.29886 12.1694 8.24186 5.63086 5.6819 11.7705 5.88703 9.45496 6.7625 12.9605 7.5366 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 9.36357 8.34494 12.1694 6.56247 7.82322 6.29886 8.24186 5.6819 11.7705 5.63086 5.88703 6.7625 12.9605 9.45496 7.5366 numMergedOcc 0
67 mol 234 unq 1 iso 1 dist 9.36357 6.56247 7.82322 8.34494 12.1694 6.29886 8.24186 5.6819 5.63086 11.7705 5.88703 6.7625 9.45496 12.9605 7.5366 numMergedOcc 0
68 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 6.27581 9.90963 11.3368 8.50331 7.22918 9.05842 7.00028 7.28249 8.03456 6.84306 9.99038 11.9847 numMergedOcc 0
69 mol 236 unq 0 iso 1 dist 9.81562 6.27581 9.90963 7.68742 5.79505 11.3368 8.50331 7.22918 7.00028 9.05842 7.28249 8.03456 9.99038 6.84306 11.9847 numMergedOcc 0
70 mol 236 unq 1 iso 0 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 8.50331 9.05842 7.22918 7.00028 7.28249 6.84306 8.03456 9.99038 11.9847 numMergedOcc 0
71 mol 236 unq 1 iso 1 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 8.50331 9.05842 7.00028 7.22918 7.28249 6.84306 9.99038 8.03456 11.9847 numMergedOcc 0
72 mol 236 unq 2 iso 0 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 8.50331 7.00028 7.22918 9.05842 7.28249 9.99038 8.03456 6.84306 11.9847 numMergedOcc 0
73 mol 236 unq 2 iso 1 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 8.50331 7.00028 9.05842 7.22918 7.28249 9.99038 6.84306 8.03456 11.9847 numMergedOcc 0
74 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 7.50201 11.056 5.23748 7.63376 6.0987 8.1148 8.1715 10.5136 6.53679 numMergedOcc 0
75 mol 252 unq 0 iso 1 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 7.50201 11.056 7.63376 5.23748 6.0987 8.1148 10.5136 8.1715 6.53679 numMergedOcc 0
76 mol 252 unq 1 iso 0 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 7.50201 5.23748 11.056 7.63376 6.0987 8.1715 8.1148 10.5136 6.53679 numMergedOcc 0
77 mol 252 unq 1 iso 1 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 7.50201 5.23748 7.63376 11.056 6.0987 8.1715 10.5136 8.1148 6.53679 numMergedOcc 0
