0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 5.32694 10.9143 5.46498 6.58035 10.7015 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 5.32694 5.46498 10.9143 6.58035 6.92781 12.5273 5.05803 7.03948 10.7015 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.31718 7.63133 10.8455 5.47769 6.2983 5.94084 6.92781 5.05803 12.5273 7.03948 10.4155 16.4009 8.71745 12.1189 16.241 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 10.4155 8.71745 16.4009 12.1189 6.92781 12.5273 5.05803 7.03948 16.241 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 10.3915 7.82074 11.0366 10.2708 7.67038 4.54938 6.864 7.82528 5.03957 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 10.3915 11.0366 7.82074 10.2708 5.03957 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 8.78293 10.9543 11.4401 5.03957 7.82074 11.0366 12.6444 7.67038 8.4674 4.51865 13.4721 10.3915 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 8.78293 11.4401 10.9543 7.67038 4.51865 8.4674 13.4721 5.03957 11.0366 7.82074 12.6444 10.3915 numMergedOcc 0
8 mol 19 unq 2 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 5.03957 7.82074 11.0366 8.73972 7.67038 8.4674 4.51865 14.6255 10.3915 numMergedOcc 0
9 mol 19 unq 2 iso 1 dist 6.864 4.54938 5.80928 8.23643 12.3093 6.55187 7.67038 4.51865 8.4674 14.6255 5.03957 11.0366 7.82074 8.73972 10.3915 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 5.03957 7.82074 11.0366 10.2708 7.67038 8.4674 4.51865 6.20943 10.3915 numMergedOcc 0
11 mol 19 unq 3 iso 1 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.67038 4.51865 8.4674 6.20943 5.03957 11.0366 7.82074 10.2708 10.3915 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 4.51865 6.864 7.67038 8.58657 6.74265 5.5841 5.80928 8.4674 4.54938 9.58539 7.07775 10.4091 7.20519 9.80108 7.34551 numMergedOcc 0
13 mol 19 unq 1 iso 1 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 7.07775 7.20519 10.4091 9.80108 5.80928 4.54938 8.4674 9.58539 7.34551 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 9.7274 15.2973 6.81627 15.9764 15.6564 numMergedOcc 0
15 mol 58 unq 0 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 6.47414 13.4544 6.64012 6.46761 15.6564 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 9.4099 9.55426 10.6169 9.73139 5.24906 13.1021 6.47414 6.64012 13.4544 6.46761 5.90225 11.396 7.32874 10.9482 11.0466 numMergedOcc 0
17 mol 58 unq 1 iso 1 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 6.47414 13.4544 6.64012 6.46761 11.0466 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 9.7274 15.2973 6.81627 10.335 15.6564 numMergedOcc 0
19 mol 58 unq 2 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 6.47414 13.4544 6.64012 7.58407 15.6564 numMergedOcc 0
20 mol 58 unq 3 iso 0 dist 9.4099 9.55426 10.6169 6.31428 5.11205 6.75888 6.47414 6.64012 13.4544 7.58407 5.90225 11.396 7.32874 6.40841 11.0466 numMergedOcc 0
21 mol 58 unq 3 iso 1 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 5.90225 7.32874 11.396 6.40841 6.47414 13.4544 6.64012 7.58407 11.0466 numMergedOcc 0
22 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 9.47876 7.98917 11.6116 6.9948 7.47541 7.66905 7.22293 4.26409 11.3023 7.95579 13.6587 10.7229 numMergedOcc 0
23 mol 85 unq 0 iso 1 dist 6.19965 7.97049 5.42586 9.47876 11.6116 7.98917 4.26409 7.95579 11.3023 13.6587 6.9948 7.66905 7.47541 7.22293 10.7229 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 7.22293 7.98917 11.6116 6.9948 7.97049 6.19965 9.47876 10.7229 11.3023 7.95579 13.6587 4.26409 numMergedOcc 0
25 mol 85 unq 1 iso 1 dist 7.66905 7.47541 5.42586 7.22293 11.6116 7.98917 10.7229 7.95579 11.3023 13.6587 6.9948 6.19965 7.97049 9.47876 4.26409 numMergedOcc 0
26 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 5.33144 6.45675 10.1409 11.8016 5.88134 12.0662 9.60661 6.58204 7.1752 numMergedOcc 0
27 mol 100 unq 0 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 5.33144 10.1409 6.45675 11.8016 7.1752 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 7.75343 15.209 10.9608 10.1407 8.86688 14.9102 15.6924 5.88134 12.0662 9.60661 6.58204 14.8365 numMergedOcc 0
29 mol 100 unq 1 iso 1 dist 6.65086 7.47343 8.8807 7.75343 10.9608 15.209 5.88134 9.60661 12.0662 6.58204 10.1407 14.9102 8.86688 15.6924 14.8365 numMergedOcc 0
30 mol 100 unq 2 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 5.33144 6.45675 11.8665 11.8016 5.88134 12.0662 9.35224 6.58204 7.1752 numMergedOcc 0
31 mol 100 unq 2 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 5.33144 11.8665 6.45675 11.8016 7.1752 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 7.75343 15.209 5.69137 10.1407 8.86688 13.6959 15.6924 5.88134 12.0662 9.35224 6.58204 14.8365 numMergedOcc 0
33 mol 100 unq 3 iso 1 dist 6.56369 7.47343 12.6515 7.75343 5.69137 15.209 5.88134 9.35224 12.0662 6.58204 10.1407 13.6959 8.86688 15.6924 14.8365 numMergedOcc 0
34 mol 115 unq 0 iso 0 dist 9.33865 5.83991 7.69052 7.76729 10.7942 10.9739 8.02349 6.11741 7.88312 12.9821 10.8507 13.8473 7.30858 17.6696 11.5723 numMergedOcc 0
35 mol 115 unq 0 iso 1 dist 5.83991 9.33865 7.69052 7.76729 10.9739 10.7942 10.8507 7.30858 13.8473 17.6696 8.02349 7.88312 6.11741 12.9821 11.5723 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 6.11741 7.88312 7.69052 6.99777 10.8292 11.7126 8.02349 9.33865 5.83991 13.9977 11.5723 13.8473 7.30858 11.695 10.8507 numMergedOcc 0
37 mol 115 unq 1 iso 1 dist 7.88312 6.11741 7.69052 6.99777 11.7126 10.8292 11.5723 7.30858 13.8473 11.695 8.02349 5.83991 9.33865 13.9977 10.8507 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 6.11741 7.88312 7.69052 9.14376 6.12943 4.62962 8.02349 9.33865 5.83991 9.65429 11.5723 13.8473 7.30858 10.0603 10.8507 numMergedOcc 0
39 mol 115 unq 2 iso 1 dist 7.88312 6.11741 7.69052 9.14376 4.62962 6.12943 11.5723 7.30858 13.8473 10.0603 8.02349 5.83991 9.33865 9.65429 10.8507 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.79898 9.89303 9.93925 12.0514 8.80819 11.9139 8.94367 8.79571 6.86927 numMergedOcc 0
41 mol 134 unq 0 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 5.79898 9.93925 9.89303 12.0514 6.86927 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 8.6355 10.1448 5.41704 5.79898 9.89303 9.93925 12.0514 5.00817 9.5126 6.37586 5.42582 7.11631 numMergedOcc 0
43 mol 134 unq 1 iso 1 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 5.79898 9.93925 9.89303 12.0514 7.11631 numMergedOcc 0
44 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 8.80819 6.49416 12.5075 8.6355 5.49782 6.37586 9.71307 5.42582 5.00817 numMergedOcc 0
45 mol 134 unq 2 iso 1 dist 9.86662 8.94367 6.81259 8.79571 6.17103 5.41704 5.49782 9.71307 6.37586 5.42582 8.80819 12.5075 6.49416 8.6355 5.00817 numMergedOcc 0
46 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.00817 6.49416 12.5075 8.6355 5.49782 8.94367 9.86662 8.79571 8.80819 numMergedOcc 0
47 mol 134 unq 3 iso 1 dist 9.71307 6.37586 6.81259 5.42582 6.17103 5.41704 5.49782 9.86662 8.94367 8.79571 5.00817 12.5075 6.49416 8.6355 8.80819 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 5.42328 5.87555 8.87437 12.4808 6.4896 8.67331 8.05741 14.1119 5.54906 numMergedOcc 0
49 mol 152 unq 0 iso 1 dist 7.16148 6.70283 5.49936 9.13561 7.89109 8.25411 6.4896 8.05741 8.67331 14.1119 5.42328 8.87437 5.87555 12.4808 5.54906 numMergedOcc 0
50 mol 152 unq 1 iso 0 dist 6.70283 7.16148 5.49936 9.13561 8.25411 7.89109 6.4896 8.67331 8.05741 14.1119 5.42328 5.87555 8.87437 12.4808 5.54906 numMergedOcc 0
51 mol 152 unq 1 iso 1 dist 7.16148 6.70283 5.49936 9.13561 7.89109 8.25411 5.42328 8.87437 5.87555 12.4808 6.4896 8.05741 8.67331 14.1119 5.54906 numMergedOcc 0
52 mol 175 unq 0 iso 0 dist 9.0018 7.652 7.42466 9.31887 11.0415 5.0384 8.16421 6.57069 10.2623 11.3137 6.2715 5.6234 9.92231 12.816 5.35493 numMergedOcc 0
53 mol 175 unq 0 iso 1 dist 7.652 9.0018 7.42466 9.31887 5.0384 11.0415 6.2715 9.92231 5.6234 12.816 8.16421 10.2623 6.57069 11.3137 5.35493 numMergedOcc 0
54 mol 175 unq 1 iso 0 dist 5.6234 9.92231 7.42466 9.0664 5.28109 7.14477 5.35493 6.57069 10.2623 11.5506 6.2715 9.0018 7.652 10.689 8.16421 numMergedOcc 0
55 mol 175 unq 1 iso 1 dist 9.92231 5.6234 7.42466 9.0664 7.14477 5.28109 6.2715 7.652 9.0018 10.689 5.35493 10.2623 6.57069 11.5506 8.16421 numMergedOcc 0
56 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.94688 6.25083 5.86342 13.2049 8.03334 10.7062 12.1309 10.1912 15.0228 9.09537 14.4632 12.8522 numMergedOcc 0
57 mol 181 unq 0 iso 1 dist 5.98885 9.1374 8.88798 6.94688 5.86342 6.25083 10.1912 9.09537 15.0228 14.4632 13.2049 10.7062 8.03334 12.1309 12.8522 numMergedOcc 0
58 mol 181 unq 1 iso 0 dist 9.1374 5.98885 8.88798 6.71012 4.77278 9.14057 13.2049 8.03334 10.7062 12.2058 10.1912 15.0228 9.09537 15.4777 12.8522 numMergedOcc 0
59 mol 181 unq 1 iso 1 dist 5.98885 9.1374 8.88798 6.71012 9.14057 4.77278 10.1912 9.09537 15.0228 15.4777 13.2049 10.7062 8.03334 12.2058 12.8522 numMergedOcc 0
60 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 6.87664 7.12232 5.3621 5.0744 6.60589 9.16166 10.8259 5.60236 10.5128 5.81334 10.2775 6.91102 numMergedOcc 0
61 mol 224 unq 0 iso 1 dist 5.78342 6.57273 8.49799 6.87664 5.3621 7.12232 5.60236 5.81334 10.5128 10.2775 5.0744 9.16166 6.60589 10.8259 6.91102 numMergedOcc 0
62 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 4.70378 8.95269 9.99123 6.67585 6.77699 10.103 6.65832 11.0097 10.9861 numMergedOcc 0
63 mol 224 unq 1 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 4.70378 9.99123 8.95269 6.67585 10.9861 numMergedOcc 0
64 mol 224 unq 2 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 4.70378 8.95269 9.99123 6.67585 8.49799 5.78342 9.16166 10.667 11.5372 numMergedOcc 0
65 mol 224 unq 2 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 8.49799 9.16166 5.78342 10.667 4.70378 9.99123 8.95269 6.67585 11.5372 numMergedOcc 0
66 mol 224 unq 3 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 6.77699 10.103 6.65832 11.0097 11.328 numMergedOcc 0
67 mol 224 unq 3 iso 1 dist 6.60589 6.57273 5.0744 6.65984 6.12232 5.29877 6.77699 6.65832 10.103 11.0097 8.49799 9.16166 5.78342 10.667 11.328 numMergedOcc 0
68 mol 236 unq 0 iso 0 dist 8.03456 8.35971 14.2337 7.17676 11.8759 6.40312 7.28249 9.81562 11.2141 5.34718 7.43758 15.1853 8.04248 10.6445 12.8967 numMergedOcc 0
69 mol 236 unq 0 iso 1 dist 8.35971 8.03456 14.2337 7.17676 6.40312 11.8759 7.43758 8.04248 15.1853 10.6445 7.28249 11.2141 9.81562 5.34718 12.8967 numMergedOcc 0
70 mol 236 unq 1 iso 0 dist 8.03456 8.35971 14.2337 6.68463 9.07822 6.2568 7.28249 9.81562 11.2141 10.5713 7.43758 15.1853 8.04248 10.5433 12.8967 numMergedOcc 0
71 mol 236 unq 1 iso 1 dist 8.35971 8.03456 14.2337 6.68463 6.2568 9.07822 7.43758 8.04248 15.1853 10.5433 7.28249 11.2141 9.81562 10.5713 12.8967 numMergedOcc 0
72 mol 236 unq 2 iso 0 dist 6.84306 8.35971 14.7998 7.17676 11.3552 6.40312 7.28249 7.68742 11.2141 5.34718 7.43758 13.5269 8.04248 10.6445 12.8967 numMergedOcc 0
73 mol 236 unq 2 iso 1 dist 8.35971 6.84306 14.7998 7.17676 6.40312 11.3552 7.43758 8.04248 13.5269 10.6445 7.28249 11.2141 7.68742 5.34718 12.8967 numMergedOcc 0
74 mol 236 unq 3 iso 0 dist 6.84306 8.35971 14.7998 6.68463 11.6837 6.2568 7.28249 7.68742 11.2141 10.5713 7.43758 13.5269 8.04248 10.5433 12.8967 numMergedOcc 0
75 mol 236 unq 3 iso 1 dist 8.35971 6.84306 14.7998 6.68463 6.2568 11.6837 7.43758 8.04248 13.5269 10.5433 7.28249 11.2141 7.68742 10.5713 12.8967 numMergedOcc 0
76 mol 236 unq 4 iso 0 dist 9.99038 8.35971 10.7497 7.17676 6.04825 6.40312 7.28249 6.27581 11.2141 5.34718 7.43758 15.7308 8.04248 10.6445 12.8967 numMergedOcc 0
77 mol 236 unq 4 iso 1 dist 8.35971 9.99038 10.7497 7.17676 6.40312 6.04825 7.43758 8.04248 15.7308 10.6445 7.28249 11.2141 6.27581 5.34718 12.8967 numMergedOcc 0
78 mol 236 unq 5 iso 0 dist 9.99038 8.35971 10.7497 6.68463 8.8265 6.2568 7.28249 6.27581 11.2141 10.5713 7.43758 15.7308 8.04248 10.5433 12.8967 numMergedOcc 0
79 mol 236 unq 5 iso 1 dist 8.35971 9.99038 10.7497 6.68463 6.2568 8.8265 7.43758 8.04248 15.7308 10.5433 7.28249 11.2141 6.27581 10.5713 12.8967 numMergedOcc 0
80 mol 252 unq 0 iso 0 dist 8.1148 8.33025 6.0987 7.66365 4.23801 9.37715 8.41807 8.1715 9.2288 10.165 14.9102 10.5136 7.19638 14.7097 11.7918 numMergedOcc 0
81 mol 252 unq 0 iso 1 dist 8.33025 8.1148 6.0987 7.66365 9.37715 4.23801 14.9102 7.19638 10.5136 14.7097 8.41807 9.2288 8.1715 10.165 11.7918 numMergedOcc 0
