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 1 iso 0 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 2 iso 0 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
3 mol 16 unq 3 iso 0 dist 7.63133 6.31718 10.8455 5.47769 5.94084 6.2983 10.4155 8.71745 16.4009 12.1189 5.32694 5.46498 10.9143 6.58035 5.74188 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 7.67038 4.54938 6.864 7.82528 7.83352 9.78944 9.56313 6.00439 10.8007 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 8.4674 4.51865 5.80928 6.20943 5.14627 4.69858 10.3915 7.82074 11.0366 10.2708 7.83352 9.78944 9.56313 6.00439 10.6598 numMergedOcc 0
6 mol 19 unq 2 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
7 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 8.23643 6.55187 11.0832 7.67038 8.4674 10.4091 14.6255 5.03957 7.82074 12.1187 8.73972 10.3915 numMergedOcc 0
8 mol 19 unq 4 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 7.67038 8.4674 10.4091 6.20943 10.8007 9.78944 15.679 6.00439 7.83352 numMergedOcc 0
9 mol 19 unq 5 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 5.03957 7.82074 12.1187 10.2708 10.8007 9.78944 15.679 6.00439 10.6598 numMergedOcc 0
10 mol 19 unq 6 iso 0 dist 4.54938 7.20519 7.34551 7.82528 5.14627 10.4988 5.03957 7.82074 12.1187 10.2708 7.67038 8.4674 10.4091 6.20943 10.3915 numMergedOcc 0
11 mol 19 unq 7 iso 0 dist 4.54938 6.864 5.80928 8.23643 6.55187 12.3093 7.67038 8.4674 4.51865 14.6255 5.03957 7.82074 11.0366 8.73972 10.3915 numMergedOcc 0
12 mol 19 unq 8 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 7.67038 8.4674 4.51865 6.20943 10.8007 9.78944 9.56313 6.00439 7.83352 numMergedOcc 0
13 mol 19 unq 9 iso 0 dist 4.54938 6.864 5.80928 7.82528 5.14627 4.69858 5.03957 7.82074 11.0366 10.2708 10.8007 9.78944 9.56313 6.00439 10.6598 numMergedOcc 0
14 mol 19 unq 10 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
15 mol 19 unq 11 iso 0 dist 4.51865 8.4674 5.80928 6.20943 4.69858 5.14627 7.67038 6.864 4.54938 7.82528 7.83352 9.56313 9.78944 6.00439 10.8007 numMergedOcc 0
16 mol 19 unq 12 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
17 mol 19 unq 13 iso 0 dist 6.864 7.20519 7.07775 8.23643 12.3093 11.0832 7.67038 4.51865 10.4091 14.6255 5.03957 11.0366 12.1187 8.73972 10.3915 numMergedOcc 0
18 mol 19 unq 14 iso 0 dist 6.864 7.20519 7.07775 7.82528 4.69858 10.4988 7.67038 4.51865 10.4091 6.20943 10.8007 9.56313 15.679 6.00439 7.83352 numMergedOcc 0
19 mol 19 unq 15 iso 0 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
20 mol 19 unq 16 iso 0 dist 6.864 4.54938 5.80928 7.82528 4.69858 5.14627 7.67038 4.51865 8.4674 6.20943 10.8007 9.56313 9.78944 6.00439 7.83352 numMergedOcc 0
21 mol 19 unq 17 iso 0 dist 6.864 4.51865 7.67038 8.58657 5.5841 6.74265 5.80928 4.54938 8.4674 9.58539 7.07775 7.20519 10.4091 9.80108 7.34551 numMergedOcc 0
22 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 6.34173 4.71384 5.67689 5.24762 6.43774 11.2563 7.06308 5.101 10.8302 11.5838 9.43442 5.48601 numMergedOcc 0
23 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 14.5953 13.497 20.7459 8.63333 10.8153 numMergedOcc 0
24 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 14.176 12.1902 20.984 8.89374 8.62958 numMergedOcc 0
25 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 5.90225 11.396 7.32874 6.40841 11.0466 numMergedOcc 0
26 mol 58 unq 3 iso 0 dist 9.55426 6.81627 9.7274 8.26899 10.3782 5.98837 10.6169 9.4099 15.2973 13.7148 7.08557 12.7357 12.0187 9.33535 8.84991 numMergedOcc 0
27 mol 58 unq 4 iso 0 dist 9.55426 7.32874 5.90225 8.26899 10.3782 4.55117 10.6169 9.4099 11.396 13.7148 7.08557 12.7357 10.1508 9.33535 8.84991 numMergedOcc 0
28 mol 58 unq 5 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 14.5953 20.7459 13.497 8.63333 21.6158 numMergedOcc 0
29 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 9.7274 6.81627 15.2973 15.9764 14.176 20.984 12.1902 8.89374 22.7659 numMergedOcc 0
30 mol 58 unq 7 iso 0 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
31 mol 58 unq 8 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 14.5953 20.7459 13.497 8.63333 16.1448 numMergedOcc 0
32 mol 58 unq 9 iso 0 dist 9.55426 9.4099 10.6169 9.73139 13.1021 5.24906 5.90225 7.32874 11.396 10.9482 14.176 20.984 12.1902 8.89374 17.446 numMergedOcc 0
33 mol 58 unq 10 iso 0 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
34 mol 58 unq 11 iso 0 dist 9.55426 9.4099 10.6169 6.31428 6.75888 5.11205 9.7274 6.81627 15.2973 10.335 5.90225 7.32874 11.396 6.40841 5.47421 numMergedOcc 0
35 mol 58 unq 12 iso 0 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
36 mol 58 unq 13 iso 0 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
37 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 6.77912 7.11552 12.0644 8.24309 9.78528 9.84449 11.9814 5.36766 10.8086 12.8385 8.624 7.04035 numMergedOcc 0
38 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 5.4148 6.19304 10.2049 4.65521 7.4697 11.4799 8.9232 5.64598 5.7113 numMergedOcc 0
39 mol 73 unq 1 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 7.4697 11.4799 8.9232 5.64598 19.0652 numMergedOcc 0
40 mol 73 unq 2 iso 0 dist 9.96396 9.38498 15.7123 8.70133 7.41074 13.4082 14.9342 8.70481 20.257 15.9587 5.4148 6.19304 10.2049 4.65521 13.3558 numMergedOcc 0
41 mol 73 unq 3 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 5.4148 6.19304 11.6369 4.65521 7.4697 11.4799 16.0453 5.64598 5.7113 numMergedOcc 0
42 mol 73 unq 4 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 7.4697 11.4799 16.0453 5.64598 19.0652 numMergedOcc 0
43 mol 73 unq 5 iso 0 dist 9.96396 9.75218 12.016 8.70133 7.41074 15.9882 14.9342 8.70481 10.1207 15.9587 5.4148 6.19304 11.6369 4.65521 13.3558 numMergedOcc 0
44 mol 85 unq 0 iso 0 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
45 mol 85 unq 1 iso 0 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
46 mol 85 unq 2 iso 0 dist 7.66905 5.73196 10.1164 7.22293 11.6116 6.47779 10.7229 7.95579 15.309 13.6587 6.9948 6.19965 11.2656 9.47876 4.26409 numMergedOcc 0
47 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
48 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
49 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
50 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
51 mol 100 unq 4 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 5.33144 6.45675 13.912 11.8016 5.88134 12.0662 10.5853 6.58204 7.1752 numMergedOcc 0
52 mol 100 unq 5 iso 0 dist 7.47343 9.30209 13.887 7.75343 15.209 9.21622 10.1407 8.86688 18.2109 15.6924 5.88134 12.0662 10.5853 6.58204 14.8365 numMergedOcc 0
53 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 6.62561 4.91401 11.3679 9.3584 7.0603 17.163 10.6107 7.22206 7.83136 16.5575 7.63616 7.21564 numMergedOcc 0
54 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
55 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
56 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 8.79571 5.41704 6.17103 5.49782 6.37586 9.71307 5.42582 8.80819 6.49416 12.5075 8.6355 5.00817 numMergedOcc 0
57 mol 134 unq 3 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
58 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 5.42582 5.41704 6.17103 5.49782 8.94367 9.86662 8.79571 5.00817 6.49416 12.5075 8.6355 8.80819 numMergedOcc 0
59 mol 134 unq 5 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
60 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 8.80819 8.94367 11.9139 8.79571 5.00817 6.37586 9.5126 5.42582 5.49782 numMergedOcc 0
61 mol 134 unq 7 iso 0 dist 6.49416 6.54501 5.00526 8.6355 5.41704 10.1448 5.00817 6.37586 9.5126 5.42582 8.80819 8.94367 11.9139 8.79571 5.49782 numMergedOcc 0
62 mol 134 unq 8 iso 0 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
63 mol 134 unq 9 iso 0 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
64 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 10.6882 12.3052 12.1555 9.87281 14.7007 numMergedOcc 0
65 mol 155 unq 1 iso 0 dist 7.46303 6.23493 5.71071 9.17284 6.3437 4.9093 7.66392 6.43582 10.2463 12.2465 12.1545 13.4817 11.6934 8.87452 17.3001 numMergedOcc 0
66 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 6.65984 5.29877 6.12232 8.49799 5.78342 9.16166 10.667 4.70378 8.95269 9.99123 6.67585 11.5372 numMergedOcc 0
67 mol 224 unq 1 iso 0 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
68 mol 224 unq 2 iso 0 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
69 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 6.99063 9.34734 10.4905 12.4085 5.22356 8.65997 10.8157 6.95902 7.60506 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 10.8658 7.56888 11.0431 11.004 5.22356 8.65997 10.8157 6.95902 9.70012 numMergedOcc 0
71 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 8.17891 6.43754 9.13836 12.4689 7.55216 10.0334 12.8864 5.22356 8.65997 10.8157 6.95902 12.9332 numMergedOcc 0
72 mol 236 unq 0 iso 0 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
73 mol 236 unq 1 iso 0 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 2 iso 0 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
75 mol 236 unq 3 iso 0 dist 8.35971 9.78037 12.0369 7.17676 6.40312 12.6468 7.43758 8.04248 14.9122 10.6445 7.28249 11.2141 13.499 5.34718 12.8967 numMergedOcc 0
76 mol 259 unq 0 iso 0 dist 7.88519 7.84554 4.86771 7.48005 11.6195 11.8736 4.69778 8.13497 9.95973 10.9591 12.5353 15.9169 18.2309 8.37865 13.2121 numMergedOcc 0
77 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 7.48005 11.6195 5.79468 4.69778 8.13497 10.3935 10.9591 12.5353 15.9169 11.858 8.37865 13.2121 numMergedOcc 0
78 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 7.48005 11.6195 12.6649 4.69778 8.13497 12.6839 10.9591 12.5353 15.9169 20.3294 8.37865 13.2121 numMergedOcc 0
