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 5.94084 5.47769 6.58035 12.1189 11.6017 6.2983 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 5.94084 5.47769 12.1189 6.58035 11.6017 6.2983 numMergedOcc 0
2 mol 19 unq 0 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 5.5841 8.58657 9.80108 9.58539 11.2198 6.74265 numMergedOcc 0
3 mol 19 unq 0 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 5.5841 8.58657 9.58539 9.80108 11.2198 6.74265 numMergedOcc 0
4 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 9.49077 9.83618 13.5377 13.7177 16.8624 10.4442 numMergedOcc 0
5 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 9.49077 9.83618 13.7177 13.5377 16.8624 10.4442 numMergedOcc 0
6 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 11.6116 9.47876 13.6587 7.22293 16.0288 7.98917 numMergedOcc 0
7 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 11.6116 9.47876 7.22293 13.6587 16.0288 7.98917 numMergedOcc 0
8 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 11.6116 7.22293 13.6587 9.47876 16.0288 7.98917 numMergedOcc 0
9 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 11.6116 7.22293 9.47876 13.6587 16.0288 7.98917 numMergedOcc 0
10 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 11.6116 7.22293 13.6587 9.47876 16.0288 6.47779 numMergedOcc 0
11 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 11.6116 7.22293 9.47876 13.6587 16.0288 6.47779 numMergedOcc 0
12 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 15.209 7.75343 11.8016 15.6924 22.2111 10.9608 numMergedOcc 0
13 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 15.209 7.75343 15.6924 11.8016 22.2111 10.9608 numMergedOcc 0
14 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 15.209 7.75343 11.8016 15.6924 22.2111 5.69137 numMergedOcc 0
15 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 15.209 7.75343 15.6924 11.8016 22.2111 5.69137 numMergedOcc 0
16 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 15.209 7.75343 11.8016 15.6924 22.2111 9.21622 numMergedOcc 0
17 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 15.209 7.75343 15.6924 11.8016 22.2111 9.21622 numMergedOcc 0
18 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 15.209 7.75343 11.8016 15.6924 19.9317 10.9608 numMergedOcc 0
19 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 15.209 7.75343 15.6924 11.8016 19.9317 10.9608 numMergedOcc 0
20 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 15.209 7.75343 11.8016 15.6924 19.9317 5.69137 numMergedOcc 0
21 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 15.209 7.75343 15.6924 11.8016 19.9317 5.69137 numMergedOcc 0
22 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 15.209 7.75343 11.8016 15.6924 19.9317 9.21622 numMergedOcc 0
23 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 15.209 7.75343 15.6924 11.8016 19.9317 9.21622 numMergedOcc 0
24 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 10.9739 7.76729 17.6696 12.9821 14.0242 10.7942 numMergedOcc 0
25 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 10.9739 7.76729 12.9821 17.6696 14.0242 10.7942 numMergedOcc 0
26 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 11.7126 6.99777 11.695 13.9977 9.9928 10.8292 numMergedOcc 0
27 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 11.7126 6.99777 13.9977 11.695 9.9928 10.8292 numMergedOcc 0
28 mol 115 unq 2 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 4.62962 9.14376 10.0603 9.65429 9.68845 6.12943 numMergedOcc 0
29 mol 115 unq 2 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 4.62962 9.14376 9.65429 10.0603 9.68845 6.12943 numMergedOcc 0
30 mol 152 unq 0 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 8.25411 9.13561 12.4808 14.1119 14.187 5.99333 numMergedOcc 0
31 mol 152 unq 0 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 8.25411 9.13561 14.1119 12.4808 14.187 5.99333 numMergedOcc 0
32 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 5.49936 7.16148 8.87437 8.05741 13.1536 8.25411 9.13561 12.4808 14.1119 14.187 7.89109 numMergedOcc 0
33 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 5.49936 7.16148 8.05741 8.87437 13.1536 8.25411 9.13561 14.1119 12.4808 14.187 7.89109 numMergedOcc 0
34 mol 181 unq 0 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 5.4601 7.20046 10.2276 11.968 7.345 6.14208 numMergedOcc 0
35 mol 181 unq 0 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 5.4601 7.20046 11.968 10.2276 7.345 6.14208 numMergedOcc 0
36 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 10.0524 7.13543 10.7636 11.8099 9.52987 5.95965 numMergedOcc 0
37 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 10.0524 7.13543 11.8099 10.7636 9.52987 5.95965 numMergedOcc 0
38 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 6.43754 8.17891 12.4085 6.95902 7.1372 9.13836 numMergedOcc 0
39 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 6.43754 8.17891 6.95902 12.4085 7.1372 9.13836 numMergedOcc 0
40 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 6.43754 8.17891 12.4085 11.004 7.1372 9.13836 numMergedOcc 0
41 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 6.43754 8.17891 11.004 12.4085 7.1372 9.13836 numMergedOcc 0
42 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 6.43754 8.17891 12.4085 12.8864 7.1372 9.13836 numMergedOcc 0
43 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 6.43754 8.17891 12.8864 12.4085 7.1372 9.13836 numMergedOcc 0
44 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 6.43754 8.17891 6.95902 11.004 7.1372 9.13836 numMergedOcc 0
45 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 6.43754 8.17891 11.004 6.95902 7.1372 9.13836 numMergedOcc 0
46 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 6.43754 8.17891 6.95902 12.8864 7.1372 9.13836 numMergedOcc 0
47 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 6.43754 8.17891 12.8864 6.95902 7.1372 9.13836 numMergedOcc 0
48 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 6.43754 8.17891 11.004 12.8864 7.1372 9.13836 numMergedOcc 0
49 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 6.43754 8.17891 12.8864 11.004 7.1372 9.13836 numMergedOcc 0
50 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 9.37715 7.66365 10.165 14.7097 10.1637 4.23801 numMergedOcc 0
51 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 9.37715 7.66365 14.7097 10.165 10.1637 4.23801 numMergedOcc 0
