0 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 6.2983 7.03948 5.47769 10.9143 10.7015 5.32694 6.58035 10.8455 12.5273 7.63133 5.94084 5.46498 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 5.05803 6.92781 6.2983 5.47769 7.03948 10.9143 5.32694 10.7015 6.58035 10.8455 7.63133 12.5273 5.94084 5.46498 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.63133 5.46498 5.32694 5.94084 5.47769 6.58035 12.5273 6.92781 10.7015 7.03948 10.8455 6.31718 10.9143 6.2983 5.05803 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 7.63133 8.71745 10.4155 5.94084 5.47769 12.1189 12.5273 6.92781 16.241 7.03948 10.8455 6.31718 16.4009 6.2983 5.05803 numMergedOcc 0
4 mol 16 unq 4 iso 0 dist 5.46498 7.63133 5.32694 5.94084 6.58035 5.47769 12.5273 10.7015 6.92781 7.03948 10.8455 10.9143 6.31718 6.2983 5.05803 numMergedOcc 0
5 mol 16 unq 5 iso 0 dist 5.46498 8.71745 5.74188 5.94084 6.58035 12.1189 12.5273 10.7015 16.241 7.03948 10.8455 10.9143 16.4009 6.2983 5.05803 numMergedOcc 0
6 mol 16 unq 6 iso 0 dist 5.46498 8.71745 5.74188 5.94084 6.58035 12.1189 7.63133 5.32694 10.4155 5.47769 10.8455 10.9143 16.4009 6.2983 6.31718 numMergedOcc 0
7 mol 19 unq 0 iso 0 dist 7.20519 4.54938 7.34551 5.5841 9.80108 9.58539 6.864 7.07775 5.80928 8.58657 7.67038 10.4091 8.4674 6.74265 4.51865 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 4.54938 7.67038 5.03957 7.82528 7.34551 10.4091 12.1187 10.4988 7.20519 numMergedOcc 0
9 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 5.14627 6.20943 10.2708 4.54938 7.67038 5.03957 7.82528 5.80928 4.51865 11.0366 4.69858 6.864 numMergedOcc 0
10 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 5.14627 7.82528 10.2708 8.4674 7.67038 10.3915 6.20943 5.80928 6.864 11.0366 4.69858 4.51865 numMergedOcc 0
11 mol 19 unq 4 iso 0 dist 7.82074 8.4674 10.3915 6.55187 8.73972 14.6255 4.54938 5.03957 7.67038 8.23643 7.34551 12.1187 10.4091 11.0832 7.20519 numMergedOcc 0
12 mol 19 unq 5 iso 0 dist 7.82074 8.4674 10.3915 6.55187 8.73972 14.6255 4.54938 5.03957 7.67038 8.23643 5.80928 11.0366 4.51865 12.3093 6.864 numMergedOcc 0
13 mol 19 unq 6 iso 0 dist 4.51865 8.4674 5.80928 6.74265 8.58657 9.58539 10.4091 7.07775 7.34551 9.80108 7.67038 6.864 4.54938 5.5841 7.20519 numMergedOcc 0
14 mol 19 unq 7 iso 0 dist 6.864 4.51865 7.67038 12.3093 8.23643 14.6255 11.0366 5.03957 10.3915 8.73972 5.80928 4.54938 8.4674 6.55187 7.82074 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 13.4544 11.0466 15.6564 7.58407 10.6169 11.396 15.2973 5.11205 6.64012 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 7.32874 6.81627 5.47421 6.75888 6.40841 10.335 9.55426 5.90225 9.7274 6.31428 10.6169 11.396 15.2973 5.11205 9.4099 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 7.32874 9.55426 5.90225 6.75888 6.40841 6.31428 13.4544 11.0466 6.47414 7.58407 10.6169 11.396 9.4099 5.11205 6.64012 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 10.3224 10.8153 13.1243 6.46761 9.94737 13.497 15.4847 5.24906 6.64012 numMergedOcc 0
19 mol 58 unq 4 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 15.4557 14.5953 18.3276 9.73139 9.94737 13.497 15.4847 5.24906 9.4099 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 6.86465 6.62496 5.30792 6.47744 8.63333 11.5023 15.4557 14.5953 18.3276 9.73139 19.4068 20.7459 24.4137 13.1021 9.55426 numMergedOcc 0
21 mol 58 unq 6 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 10.3224 10.8153 8.62958 6.46761 9.94737 13.497 12.1902 5.24906 6.64012 numMergedOcc 0
22 mol 58 unq 7 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 15.4557 14.5953 14.176 9.73139 9.94737 13.497 12.1902 5.24906 9.4099 numMergedOcc 0
23 mol 58 unq 8 iso 0 dist 6.86465 6.35756 5.35073 6.47744 8.63333 8.89374 15.4557 14.5953 14.176 9.73139 19.4068 20.7459 20.984 13.1021 9.55426 numMergedOcc 0
24 mol 58 unq 9 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 10.3224 8.62958 10.8153 6.46761 9.94737 12.1902 13.497 5.24906 6.64012 numMergedOcc 0
25 mol 58 unq 10 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 15.4557 14.176 14.5953 9.73139 9.94737 12.1902 13.497 5.24906 9.4099 numMergedOcc 0
26 mol 58 unq 11 iso 0 dist 6.35756 6.86465 5.35073 6.47744 8.89374 8.63333 15.4557 14.176 14.5953 9.73139 19.4068 20.984 20.7459 13.1021 9.55426 numMergedOcc 0
27 mol 58 unq 12 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 10.3224 8.62958 13.1243 6.46761 9.94737 12.1902 15.4847 5.24906 6.64012 numMergedOcc 0
28 mol 58 unq 13 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 15.4557 14.176 18.3276 9.73139 9.94737 12.1902 15.4847 5.24906 9.4099 numMergedOcc 0
29 mol 58 unq 14 iso 0 dist 6.35756 6.62496 4.81926 6.47744 8.89374 11.5023 15.4557 14.176 18.3276 9.73139 19.4068 20.984 24.4137 13.1021 9.55426 numMergedOcc 0
30 mol 58 unq 15 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 13.497 10.8153 14.5953 8.63333 9.94737 10.3224 15.4557 6.47744 6.86465 numMergedOcc 0
31 mol 58 unq 16 iso 0 dist 6.64012 9.4099 6.47414 5.24906 6.46761 9.73139 12.1902 8.62958 14.176 8.89374 9.94737 10.3224 15.4557 6.47744 6.35756 numMergedOcc 0
32 mol 58 unq 17 iso 0 dist 6.64012 9.4099 6.47414 5.11205 7.58407 6.31428 11.396 11.0466 5.90225 6.40841 10.6169 13.4544 9.55426 6.75888 7.32874 numMergedOcc 0
33 mol 58 unq 18 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 13.497 14.5953 10.8153 8.63333 9.94737 15.4557 10.3224 6.47744 6.86465 numMergedOcc 0
34 mol 58 unq 19 iso 0 dist 9.4099 6.64012 6.47414 5.24906 9.73139 6.46761 12.1902 14.176 8.62958 8.89374 9.94737 15.4557 10.3224 6.47744 6.35756 numMergedOcc 0
35 mol 58 unq 20 iso 0 dist 9.4099 6.64012 6.47414 5.11205 6.31428 7.58407 11.396 5.90225 11.0466 6.40841 10.6169 9.55426 13.4544 6.75888 7.32874 numMergedOcc 0
36 mol 58 unq 21 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 20.7459 14.5953 21.6158 8.63333 19.4068 15.4557 22.3985 6.47744 6.86465 numMergedOcc 0
37 mol 58 unq 22 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 20.984 14.176 22.7659 8.89374 19.4068 15.4557 22.3985 6.47744 6.35756 numMergedOcc 0
38 mol 58 unq 23 iso 0 dist 9.55426 6.81627 9.7274 13.1021 9.73139 15.9764 13.4544 6.47414 15.6564 6.46761 10.6169 9.4099 15.2973 5.24906 6.64012 numMergedOcc 0
39 mol 58 unq 24 iso 0 dist 9.55426 6.81627 9.7274 6.75888 6.31428 10.335 13.4544 6.47414 15.6564 7.58407 10.6169 9.4099 15.2973 5.11205 6.64012 numMergedOcc 0
40 mol 58 unq 25 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 20.7459 14.5953 16.1448 8.63333 19.4068 15.4557 17.226 6.47744 6.86465 numMergedOcc 0
41 mol 58 unq 26 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 20.984 14.176 17.446 8.89374 19.4068 15.4557 17.226 6.47744 6.35756 numMergedOcc 0
42 mol 58 unq 27 iso 0 dist 9.55426 7.32874 5.90225 13.1021 9.73139 10.9482 13.4544 6.47414 11.0466 6.46761 10.6169 9.4099 11.396 5.24906 6.64012 numMergedOcc 0
43 mol 58 unq 28 iso 0 dist 9.55426 7.32874 5.90225 6.75888 6.31428 6.40841 13.4544 6.47414 11.0466 7.58407 10.6169 9.4099 11.396 5.11205 6.64012 numMergedOcc 0
44 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.41074 8.70133 4.65521 11.4799 7.4697 5.7113 5.64598 16.5689 13.1662 11.379 9.77992 5.93252 numMergedOcc 0
45 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 7.41074 8.70133 15.9587 11.4799 7.4697 19.0652 5.64598 16.5689 13.1662 24.5764 9.77992 5.93252 numMergedOcc 0
46 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 7.41074 4.65521 8.70133 11.4799 5.7113 7.4697 5.64598 16.5689 11.379 13.1662 9.77992 5.93252 numMergedOcc 0
47 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 9.96396 5.4148 14.9342 8.70133 15.7123 10.2049 20.257 13.4082 9.38498 numMergedOcc 0
48 mol 73 unq 4 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 9.96396 5.4148 14.9342 8.70133 12.016 11.6369 10.1207 15.9882 9.75218 numMergedOcc 0
49 mol 73 unq 5 iso 0 dist 6.19304 8.70481 13.3558 7.41074 4.65521 15.9587 11.4799 5.7113 19.0652 5.64598 16.5689 11.379 24.5764 9.77992 5.93252 numMergedOcc 0
50 mol 85 unq 0 iso 0 dist 6.19965 7.95579 4.26409 11.6116 9.47876 13.6587 7.66905 6.9948 10.7229 7.22293 5.42586 7.97049 11.3023 7.98917 7.47541 numMergedOcc 0
51 mol 85 unq 1 iso 0 dist 6.19965 7.95579 4.26409 11.6116 9.47876 13.6587 7.66905 6.9948 10.7229 7.22293 10.1164 11.2656 15.309 6.47779 5.73196 numMergedOcc 0
52 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 11.6116 7.22293 13.6587 6.19965 6.9948 4.26409 9.47876 5.42586 7.47541 11.3023 7.98917 7.97049 numMergedOcc 0
53 mol 100 unq 0 iso 0 dist 7.47343 6.45675 5.33144 15.209 7.75343 11.8016 12.0662 5.88134 7.1752 6.58204 8.8807 6.65086 10.1409 10.9608 9.60661 numMergedOcc 0
54 mol 100 unq 1 iso 0 dist 7.47343 6.45675 5.33144 15.209 7.75343 11.8016 12.0662 5.88134 7.1752 6.58204 17.5254 10.5134 13.9713 5.01145 7.17106 numMergedOcc 0
55 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 15.209 7.75343 11.8016 12.0662 5.88134 7.1752 6.58204 12.6515 6.56369 11.8665 5.69137 9.35224 numMergedOcc 0
56 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 15.209 7.75343 15.6924 12.0662 5.88134 14.8365 6.58204 8.8807 6.65086 14.9102 10.9608 9.60661 numMergedOcc 0
57 mol 100 unq 4 iso 0 dist 7.47343 8.86688 10.1407 15.209 7.75343 15.6924 12.0662 5.88134 14.8365 6.58204 17.5254 10.5134 19.8678 5.01145 7.17106 numMergedOcc 0
58 mol 100 unq 5 iso 0 dist 7.47343 8.86688 10.1407 15.209 7.75343 15.6924 12.0662 5.88134 14.8365 6.58204 12.6515 6.56369 13.6959 5.69137 9.35224 numMergedOcc 0
59 mol 117 unq 0 iso 0 dist 7.83136 7.0603 7.21564 4.91401 7.63616 10.6107 7.90328 7.22206 9.3584 6.62561 13.1058 16.5575 17.163 11.3679 9.84395 numMergedOcc 0
60 mol 134 unq 0 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 11.9139 8.80819 6.86927 8.79571 5.00526 6.49416 9.93925 5.41704 8.94367 numMergedOcc 0
61 mol 134 unq 1 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 11.9139 8.80819 6.86927 8.79571 11.3271 12.5075 14.423 6.17103 9.86662 numMergedOcc 0
62 mol 134 unq 2 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 9.5126 5.00817 7.11631 5.42582 5.00526 6.49416 9.93925 5.41704 6.37586 numMergedOcc 0
63 mol 134 unq 3 iso 0 dist 6.54501 9.89303 5.79898 10.1448 8.6355 12.0514 9.5126 5.00817 7.11631 5.42582 11.3271 12.5075 14.423 6.17103 9.71307 numMergedOcc 0
64 mol 134 unq 4 iso 0 dist 8.94367 6.37586 5.49782 5.41704 8.79571 5.42582 6.49416 8.80819 5.00817 8.6355 5.00526 11.9139 9.5126 10.1448 6.54501 numMergedOcc 0
65 mol 134 unq 5 iso 0 dist 8.94367 6.49416 8.80819 5.41704 8.79571 8.6355 6.37586 5.49782 5.00817 5.42582 6.81259 9.86662 12.5075 6.17103 9.71307 numMergedOcc 0
66 mol 134 unq 6 iso 0 dist 6.37586 8.94367 5.49782 5.41704 5.42582 8.79571 6.49416 5.00817 8.80819 8.6355 5.00526 9.5126 11.9139 10.1448 6.54501 numMergedOcc 0
67 mol 134 unq 7 iso 0 dist 6.37586 6.49416 5.00817 5.41704 5.42582 8.6355 8.94367 5.49782 8.80819 8.79571 6.81259 9.71307 12.5075 6.17103 9.86662 numMergedOcc 0
68 mol 134 unq 8 iso 0 dist 6.49416 8.94367 8.80819 5.41704 8.6355 8.79571 6.37586 5.00817 5.49782 5.42582 6.81259 12.5075 9.86662 6.17103 9.71307 numMergedOcc 0
69 mol 134 unq 9 iso 0 dist 6.49416 6.37586 5.00817 5.41704 8.6355 5.42582 8.94367 8.80819 5.49782 8.79571 6.81259 12.5075 9.71307 6.17103 9.86662 numMergedOcc 0
70 mol 134 unq 10 iso 0 dist 9.86662 9.71307 5.49782 6.17103 8.79571 5.42582 12.5075 8.80819 5.00817 8.6355 11.3271 11.9139 9.5126 10.1448 6.54501 numMergedOcc 0
71 mol 134 unq 11 iso 0 dist 9.86662 9.71307 5.49782 6.17103 8.79571 5.42582 12.5075 8.80819 5.00817 8.6355 6.81259 8.94367 6.37586 5.41704 6.49416 numMergedOcc 0
72 mol 134 unq 12 iso 0 dist 9.71307 9.86662 5.49782 6.17103 5.42582 8.79571 12.5075 5.00817 8.80819 8.6355 11.3271 9.5126 11.9139 10.1448 6.54501 numMergedOcc 0
73 mol 134 unq 13 iso 0 dist 9.71307 9.86662 5.49782 6.17103 5.42582 8.79571 12.5075 5.00817 8.80819 8.6355 6.81259 6.37586 8.94367 5.41704 6.49416 numMergedOcc 0
74 mol 224 unq 0 iso 0 dist 8.95269 5.78342 11.5372 5.29877 6.67585 10.667 6.57273 4.70378 8.49799 6.65984 5.0744 9.99123 9.16166 6.12232 6.60589 numMergedOcc 0
75 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 6.12232 6.65984 11.0097 9.99123 4.70378 10.9861 6.67585 5.0744 6.57273 10.103 5.29877 8.95269 numMergedOcc 0
76 mol 224 unq 2 iso 0 dist 6.60589 9.16166 8.49799 6.12232 6.65984 10.667 9.99123 4.70378 11.5372 6.67585 5.0744 6.57273 5.78342 5.29877 8.95269 numMergedOcc 0
77 mol 227 unq 0 iso 0 dist 8.65997 9.34734 7.60506 6.43754 6.95902 12.4085 7.22101 5.22356 6.99063 8.17891 4.39704 10.8157 10.4905 9.13836 7.09863 numMergedOcc 0
78 mol 227 unq 1 iso 0 dist 8.65997 7.56888 9.70012 6.43754 6.95902 11.004 7.22101 5.22356 10.8658 8.17891 4.39704 10.8157 11.0431 9.13836 7.09863 numMergedOcc 0
79 mol 227 unq 2 iso 0 dist 8.65997 7.55216 12.9332 6.43754 6.95902 12.8864 7.22101 5.22356 12.4689 8.17891 4.39704 10.8157 10.0334 9.13836 7.09863 numMergedOcc 0
80 mol 236 unq 0 iso 0 dist 8.35971 8.04248 7.43758 6.40312 7.17676 10.6445 11.2141 7.28249 12.8967 5.34718 14.2337 8.03456 15.1853 11.8759 9.81562 numMergedOcc 0
81 mol 236 unq 1 iso 0 dist 8.35971 8.04248 7.43758 6.40312 7.17676 10.6445 11.2141 7.28249 12.8967 5.34718 14.7998 6.84306 13.5269 11.3552 7.68742 numMergedOcc 0
82 mol 236 unq 2 iso 0 dist 8.35971 8.04248 7.43758 6.40312 7.17676 10.6445 11.2141 7.28249 12.8967 5.34718 10.7497 9.99038 15.7308 6.04825 6.27581 numMergedOcc 0
83 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 10.4664 6.55759 10.5202 10.0756 5.42006 7.17989 5.38637 14.0328 11.101 13.1053 6.20606 6.57393 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 11.6195 7.48005 10.9591 15.9169 12.5353 13.2121 8.37865 15.8535 12.0576 14.517 5.31048 5.30224 numMergedOcc 0
