0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 6.92781 5.05803 12.5273 5.32694 10.9143 5.46498 10.7015 5.47769 6.2983 5.94084 7.03948 6.58035 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 7.63133 10.8455 6.92781 5.05803 12.5273 10.4155 16.4009 8.71745 16.241 5.47769 6.2983 5.94084 7.03948 12.1189 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.63133 6.31718 10.8455 5.32694 5.46498 10.9143 6.92781 12.5273 5.05803 10.7015 5.47769 5.94084 6.2983 6.58035 7.03948 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 7.63133 6.31718 10.8455 5.32694 5.46498 10.9143 6.92781 12.5273 5.05803 10.7015 13.0191 6.73355 16.9205 8.41862 17.3012 numMergedOcc 0
4 mol 16 unq 4 iso 0 dist 7.63133 6.31718 10.8455 10.4155 8.71745 16.4009 6.92781 12.5273 5.05803 16.241 13.0191 6.73355 16.9205 8.16785 17.3012 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 10.3915 7.82074 11.0366 7.67038 4.54938 6.864 5.03957 14.6255 6.55187 12.3093 8.73972 8.23643 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 5.80928 4.51865 6.864 7.34551 10.4091 7.20519 7.07775 9.58539 6.74265 5.5841 8.58657 9.80108 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 5.03957 7.82074 11.0366 7.67038 8.4674 4.51865 10.3915 8.23643 6.55187 12.3093 8.73972 14.6255 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 4.54938 8.4674 7.67038 7.34551 7.20519 10.4091 5.80928 6.864 4.51865 7.07775 9.58539 5.5841 6.74265 9.80108 8.58657 numMergedOcc 0
9 mol 19 unq 4 iso 0 dist 4.51865 8.4674 5.80928 7.67038 6.864 4.54938 10.3915 11.0366 7.82074 5.03957 13.4721 11.4401 10.9543 8.78293 12.6444 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 4.51865 8.4674 5.80928 7.67038 6.864 4.54938 10.3915 11.0366 7.82074 5.03957 14.6255 12.3093 6.55187 8.23643 8.73972 numMergedOcc 0
11 mol 19 unq 6 iso 0 dist 4.51865 8.4674 5.80928 7.67038 6.864 4.54938 10.3915 11.0366 7.82074 5.03957 6.20943 4.69858 5.14627 7.82528 10.2708 numMergedOcc 0
12 mol 19 unq 7 iso 0 dist 6.864 4.54938 5.80928 7.67038 4.51865 8.4674 5.03957 11.0366 7.82074 10.3915 7.82528 4.69858 5.14627 6.20943 10.2708 numMergedOcc 0
13 mol 19 unq 8 iso 0 dist 6.864 4.51865 7.67038 7.07775 7.20519 10.4091 5.80928 4.54938 8.4674 7.34551 8.58657 5.5841 6.74265 9.80108 9.58539 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 9.7274 15.2973 6.81627 15.6564 9.73139 5.24906 13.1021 6.46761 15.9764 numMergedOcc 0
15 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 9.7274 15.2973 6.81627 15.6564 6.31428 5.11205 6.75888 7.58407 10.335 numMergedOcc 0
16 mol 58 unq 2 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 5.90225 11.396 7.32874 11.0466 9.73139 5.24906 13.1021 6.46761 10.9482 numMergedOcc 0
17 mol 58 unq 3 iso 0 dist 9.4099 9.55426 10.6169 6.47414 6.64012 13.4544 5.90225 11.396 7.32874 11.0466 6.31428 5.11205 6.75888 7.58407 6.40841 numMergedOcc 0
18 mol 58 unq 4 iso 0 dist 9.55426 9.4099 10.6169 5.90225 7.32874 11.396 6.47414 13.4544 6.64012 11.0466 6.31428 6.75888 5.11205 6.40841 7.58407 numMergedOcc 0
19 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 6.9948 7.47541 7.66905 4.26409 11.3023 7.95579 10.7229 9.47876 7.98917 11.6116 7.22293 13.6587 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 6.9948 7.97049 6.19965 10.7229 11.3023 7.95579 4.26409 7.22293 7.98917 11.6116 9.47876 13.6587 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 6.65086 9.60661 5.88134 8.8807 7.47343 12.0662 11.5403 10.5134 7.17106 17.5254 10.5193 10.1589 10.1499 8.72704 16.0876 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 6.65086 9.60661 5.88134 8.8807 7.47343 12.0662 7.80879 6.56369 9.35224 12.6515 10.5193 10.1589 10.1499 8.72704 15.8984 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 5.33144 10.1409 6.45675 7.1752 7.75343 10.9608 15.209 6.58204 11.8016 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 6.65086 7.47343 8.8807 5.88134 9.60661 12.0662 10.1407 14.9102 8.86688 14.8365 7.75343 10.9608 15.209 6.58204 15.6924 numMergedOcc 0
25 mol 100 unq 4 iso 0 dist 6.56369 9.35224 5.88134 12.6515 7.47343 12.0662 7.80879 6.65086 9.60661 8.8807 15.8984 10.1589 10.1499 8.72704 10.5193 numMergedOcc 0
26 mol 100 unq 5 iso 0 dist 6.56369 9.35224 5.88134 12.6515 7.47343 12.0662 8.87654 10.5134 7.17106 17.5254 15.8984 10.1589 10.1499 8.72704 16.0876 numMergedOcc 0
27 mol 100 unq 6 iso 0 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 5.33144 11.8665 6.45675 7.1752 7.75343 5.69137 15.209 6.58204 11.8016 numMergedOcc 0
28 mol 100 unq 7 iso 0 dist 6.56369 7.47343 12.6515 5.88134 9.35224 12.0662 10.1407 13.6959 8.86688 14.8365 7.75343 5.69137 15.209 6.58204 15.6924 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 9.33865 5.83991 7.69052 8.02349 6.11741 7.88312 10.8507 13.8473 7.30858 11.5723 13.9977 10.8292 11.7126 6.99777 11.695 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 8.02349 6.11741 7.88312 10.8507 13.8473 7.30858 11.5723 9.65429 6.12943 4.62962 9.14376 10.0603 numMergedOcc 0
31 mol 115 unq 2 iso 0 dist 6.11741 7.88312 7.69052 8.02349 9.33865 5.83991 11.5723 13.8473 7.30858 10.8507 12.9821 10.7942 10.9739 7.76729 17.6696 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.80819 6.49416 12.5075 5.49782 6.37586 9.71307 5.00817 8.79571 5.41704 6.17103 8.6355 5.42582 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 5.00817 6.49416 12.5075 5.49782 8.94367 9.86662 8.80819 5.42582 5.41704 6.17103 8.6355 8.79571 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 8.80819 8.94367 11.9139 5.79898 9.93925 9.89303 6.86927 8.6355 5.41704 10.1448 8.79571 12.0514 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 5.00817 6.37586 9.5126 5.79898 9.93925 9.89303 7.11631 8.6355 5.41704 10.1448 5.42582 12.0514 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 5.49782 9.71307 6.37586 8.80819 12.5075 6.49416 5.00817 8.79571 6.17103 5.41704 5.42582 8.6355 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 5.49782 9.86662 8.94367 5.00817 12.5075 6.49416 8.80819 5.42582 6.17103 5.41704 8.79571 8.6355 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 5.42328 6.70283 7.16148 5.54906 8.67331 8.05741 6.4896 12.4808 8.25411 7.89109 9.13561 14.1119 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 8.87437 5.87555 5.49936 5.42328 7.16148 6.70283 5.54906 8.05741 8.67331 6.4896 12.4808 7.89109 8.25411 9.13561 14.1119 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 8.67331 8.05741 5.49936 6.4896 6.70283 7.16148 5.54906 5.87555 8.87437 5.42328 14.1119 8.25411 7.89109 9.13561 12.4808 numMergedOcc 0
41 mol 152 unq 3 iso 0 dist 8.05741 8.67331 5.49936 6.4896 7.16148 6.70283 5.54906 8.87437 5.87555 5.42328 14.1119 7.89109 8.25411 9.13561 12.4808 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 7.652 9.0018 7.42466 6.2715 9.92231 5.6234 8.16421 10.2623 6.57069 5.35493 10.689 7.14477 5.28109 9.0664 11.5506 numMergedOcc 0
43 mol 175 unq 1 iso 0 dist 9.92231 5.6234 7.42466 6.2715 7.652 9.0018 5.35493 10.2623 6.57069 8.16421 12.816 5.0384 11.0415 9.31887 11.3137 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 4.70378 8.95269 9.99123 6.77699 10.103 6.65832 10.9861 10.0414 9.36098 12.5195 7.06793 16.3727 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 4.70378 8.95269 9.99123 6.77699 10.103 6.65832 10.9861 6.65984 5.29877 6.12232 6.67585 11.0097 numMergedOcc 0
46 mol 224 unq 2 iso 0 dist 6.57273 6.60589 5.0744 4.70378 8.95269 9.99123 8.49799 5.78342 9.16166 11.5372 10.0414 9.36098 12.5195 7.06793 12.7072 numMergedOcc 0
47 mol 224 unq 3 iso 0 dist 6.57273 6.60589 5.0744 4.70378 8.95269 9.99123 8.49799 5.78342 9.16166 11.5372 6.65984 5.29877 6.12232 6.67585 10.667 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 6.60589 9.16166 8.49799 5.0744 6.57273 5.78342 6.91102 10.5128 5.81334 5.60236 10.8259 7.12232 5.3621 6.87664 10.2775 numMergedOcc 0
49 mol 224 unq 5 iso 0 dist 5.78342 9.16166 5.0744 11.5372 8.95269 9.99123 11.328 10.103 6.65832 10.9861 12.7072 9.36098 12.5195 7.06793 16.3727 numMergedOcc 0
50 mol 224 unq 6 iso 0 dist 5.78342 9.16166 5.0744 11.5372 8.95269 9.99123 11.328 10.103 6.65832 10.9861 10.667 5.29877 6.12232 6.67585 11.0097 numMergedOcc 0
51 mol 224 unq 7 iso 0 dist 5.78342 9.16166 5.0744 11.5372 8.95269 9.99123 8.49799 6.57273 6.60589 4.70378 12.7072 9.36098 12.5195 7.06793 10.0414 numMergedOcc 0
52 mol 224 unq 8 iso 0 dist 5.78342 9.16166 5.0744 11.5372 8.95269 9.99123 8.49799 6.57273 6.60589 4.70378 10.667 5.29877 6.12232 6.67585 6.65984 numMergedOcc 0
53 mol 224 unq 9 iso 0 dist 5.78342 9.16166 5.0744 8.49799 6.57273 6.60589 11.328 10.103 6.65832 6.77699 10.667 5.29877 6.12232 6.65984 11.0097 numMergedOcc 0
54 mol 224 unq 10 iso 0 dist 9.16166 5.78342 5.0744 8.49799 6.60589 6.57273 11.5372 9.99123 8.95269 4.70378 10.667 6.12232 5.29877 6.65984 6.67585 numMergedOcc 0
55 mol 236 unq 0 iso 0 dist 8.03456 8.35971 14.2337 7.28249 9.81562 11.2141 7.43758 15.1853 8.04248 12.8967 7.17676 11.8759 6.40312 5.34718 10.6445 numMergedOcc 0
56 mol 236 unq 1 iso 0 dist 6.84306 8.35971 14.7998 7.28249 7.68742 11.2141 7.43758 13.5269 8.04248 12.8967 7.17676 11.3552 6.40312 5.34718 10.6445 numMergedOcc 0
57 mol 236 unq 2 iso 0 dist 9.99038 8.35971 10.7497 7.28249 6.27581 11.2141 7.43758 15.7308 8.04248 12.8967 7.17676 6.04825 6.40312 5.34718 10.6445 numMergedOcc 0
58 mol 252 unq 0 iso 0 dist 8.1715 9.2288 6.0987 8.41807 8.1148 8.33025 11.7918 10.5136 7.19638 14.9102 10.165 4.23801 9.37715 7.66365 14.7097 numMergedOcc 0
