0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 8.43054 4.65873 9.81307 6.92781 5.05803 12.5273 6.57331 5.47769 6.2983 5.94084 4.68733 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 5.32694 5.46498 10.9143 11.1513 5.47769 5.94084 6.2983 4.68733 6.58035 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 5.32694 5.46498 10.9143 11.1513 13.0191 6.73355 16.9205 15.0531 8.41862 numMergedOcc 0
3 mol 16 unq 3 iso 0 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 10.4155 8.71745 16.4009 16.7405 13.0191 6.73355 16.9205 15.0531 8.16785 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.09311 11.6226 6.17155 10.0952 6.86014 12.5077 16.0162 12.4274 5.39241 7.84982 12.7111 9.75144 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 9.05357 13.1949 10.3122 10.0952 6.86014 12.5077 16.8554 12.4274 5.39241 7.84982 17.3016 9.75144 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 7.2846 7.58835 8.81358 9.33906 6.42339 5.1274 5.24762 6.43774 11.2563 11.5679 6.34173 4.71384 5.67689 6.00679 7.06308 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 9.4099 6.64012 6.47414 9.08221 8.55984 4.00553 10.6169 9.55426 13.4544 15.6595 13.7148 10.3782 14.7581 18.1063 8.26899 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 7.12321 7.47371 4.27726 8.24309 9.78528 9.84449 6.21799 12.0903 11.6894 5.14048 5.5067 9.02278 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.96396 9.38498 15.7123 9.73086 5.70116 17.4121 5.4148 6.19304 10.2049 7.4369 8.70133 7.41074 13.4082 6.15714 4.65521 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 9.73086 5.70116 14.844 5.4148 6.19304 11.6369 7.4369 8.70133 7.41074 15.9882 6.15714 4.65521 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 8.8807 7.47343 12.0662 9.76432 10.5193 10.1589 10.1499 6.13211 8.72704 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 6.39384 6.63111 6.07067 7.69052 5.83991 7.88312 9.42082 9.66954 6.09023 4.61908 6.49835 8.66155 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 6.24825 6.95773 6.01673 8.02349 6.11741 7.88312 10.0255 13.9977 10.8292 11.7126 15.7303 6.99777 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 9.33865 5.83991 7.69052 6.24825 6.95773 6.01673 8.02349 6.11741 7.88312 10.0255 9.65429 6.12943 4.62962 6.70178 9.14376 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 5.83991 7.30858 10.8507 7.69765 4.48636 10.3209 7.69052 9.33865 13.8473 13.4105 8.66155 6.09023 11.3902 9.13361 9.66954 numMergedOcc 0
16 mol 115 unq 4 iso 0 dist 5.83991 7.30858 10.8507 7.69765 4.48636 10.3209 7.69052 9.33865 13.8473 13.4105 12.2309 10.2377 19.2193 14.211 7.64585 numMergedOcc 0
17 mol 115 unq 5 iso 0 dist 5.83991 7.30858 10.8507 9.42082 6.63111 15.3161 7.69052 9.33865 13.8473 6.39384 8.66155 6.09023 11.3902 6.49835 9.66954 numMergedOcc 0
18 mol 115 unq 6 iso 0 dist 5.83991 7.30858 10.8507 9.42082 6.63111 15.3161 7.69052 9.33865 13.8473 6.39384 12.2309 10.2377 19.2193 5.65471 7.64585 numMergedOcc 0
19 mol 115 unq 7 iso 0 dist 5.83991 7.88312 8.02349 7.69765 4.48636 11.835 7.69052 9.33865 6.11741 13.4105 8.66155 6.09023 4.61908 9.13361 9.66954 numMergedOcc 0
20 mol 115 unq 8 iso 0 dist 5.83991 7.88312 8.02349 7.69765 4.48636 11.835 7.69052 9.33865 6.11741 13.4105 12.2309 10.2377 10.8939 14.211 7.64585 numMergedOcc 0
21 mol 115 unq 9 iso 0 dist 5.83991 7.88312 8.02349 9.42082 6.63111 6.07067 7.69052 9.33865 6.11741 6.39384 8.66155 6.09023 4.61908 6.49835 9.66954 numMergedOcc 0
22 mol 115 unq 10 iso 0 dist 5.83991 7.88312 8.02349 9.42082 6.63111 6.07067 7.69052 9.33865 6.11741 6.39384 12.2309 10.2377 10.8939 5.65471 7.64585 numMergedOcc 0
23 mol 115 unq 11 iso 0 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 8.02349 7.88312 6.11741 10.0255 13.9977 11.7126 10.8292 15.7303 6.99777 numMergedOcc 0
24 mol 115 unq 12 iso 0 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 8.02349 7.88312 6.11741 10.0255 9.65429 4.62962 6.12943 6.70178 9.14376 numMergedOcc 0
25 mol 115 unq 13 iso 0 dist 6.11741 9.33865 8.02349 6.39384 6.07067 6.63111 7.69052 7.88312 5.83991 9.42082 9.66954 4.61908 6.09023 6.49835 8.66155 numMergedOcc 0
26 mol 115 unq 14 iso 0 dist 7.88312 7.30858 11.5723 7.69765 11.835 10.3209 7.69052 6.11741 13.8473 13.4105 8.66155 4.61908 11.3902 9.13361 9.66954 numMergedOcc 0
27 mol 115 unq 15 iso 0 dist 7.88312 7.30858 11.5723 7.69765 11.835 10.3209 7.69052 6.11741 13.8473 13.4105 12.2309 10.8939 19.2193 14.211 7.64585 numMergedOcc 0
28 mol 115 unq 16 iso 0 dist 7.88312 7.30858 11.5723 9.42082 6.07067 15.3161 7.69052 6.11741 13.8473 6.39384 8.66155 4.61908 11.3902 6.49835 9.66954 numMergedOcc 0
29 mol 115 unq 17 iso 0 dist 7.88312 7.30858 11.5723 9.42082 6.07067 15.3161 7.69052 6.11741 13.8473 6.39384 12.2309 10.8939 19.2193 5.65471 7.64585 numMergedOcc 0
30 mol 115 unq 18 iso 0 dist 7.88312 5.83991 8.02349 7.69765 11.835 4.48636 7.69052 6.11741 9.33865 13.4105 8.66155 4.61908 6.09023 9.13361 9.66954 numMergedOcc 0
31 mol 115 unq 19 iso 0 dist 7.88312 5.83991 8.02349 7.69765 11.835 4.48636 7.69052 6.11741 9.33865 13.4105 12.2309 10.8939 10.2377 14.211 7.64585 numMergedOcc 0
32 mol 115 unq 20 iso 0 dist 7.88312 5.83991 8.02349 9.42082 6.07067 6.63111 7.69052 6.11741 9.33865 6.39384 8.66155 4.61908 6.09023 6.49835 9.66954 numMergedOcc 0
33 mol 115 unq 21 iso 0 dist 7.88312 5.83991 8.02349 9.42082 6.07067 6.63111 7.69052 6.11741 9.33865 6.39384 12.2309 10.8939 10.2377 5.65471 7.64585 numMergedOcc 0
34 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 6.10127 10.5783 6.57678 7.22206 7.83136 16.5575 11.6387 6.62561 4.91401 11.3679 6.95589 7.63616 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 5.49782 6.37586 9.71307 7.93372 8.79571 5.41704 6.17103 5.67107 5.42582 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 8.80819 6.49416 12.5075 11.988 8.79571 5.41704 6.17103 5.67107 8.6355 numMergedOcc 0
37 mol 134 unq 2 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 5.49782 8.94367 9.86662 13.9752 5.42582 5.41704 6.17103 6.0991 8.79571 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 9.33924 6.95573 10.2026 5.00817 6.49416 12.5075 9.55584 5.42582 5.41704 6.17103 6.0991 8.6355 numMergedOcc 0
39 mol 134 unq 4 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.49782 8.94367 9.86662 7.21868 5.42582 5.41704 6.17103 5.67107 8.79571 numMergedOcc 0
40 mol 134 unq 5 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 5.00817 6.49416 12.5075 11.988 5.42582 5.41704 6.17103 5.67107 8.6355 numMergedOcc 0
41 mol 134 unq 6 iso 0 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 5.49782 9.71307 6.37586 7.93372 8.79571 6.17103 5.41704 5.67107 5.42582 numMergedOcc 0
42 mol 134 unq 7 iso 0 dist 9.71307 6.37586 6.81259 9.33924 10.2026 6.95573 5.49782 9.86662 8.94367 13.9752 5.42582 6.17103 5.41704 6.0991 8.79571 numMergedOcc 0
43 mol 134 unq 8 iso 0 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 5.49782 9.86662 8.94367 7.21868 5.42582 6.17103 5.41704 5.67107 8.79571 numMergedOcc 0
44 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 7.81207 4.67662 5.81599 5.32922 5.31024 7.26382 6.14151 7.15475 9.49653 7.53854 5.26247 9.07935 numMergedOcc 0
45 mol 142 unq 1 iso 0 dist 9.2313 7.73169 5.50998 7.18002 13.5913 9.99555 5.32922 5.31024 7.26382 10.7696 7.15475 9.49653 7.53854 12.2806 9.07935 numMergedOcc 0
46 mol 142 unq 2 iso 0 dist 9.2313 8.96657 11.1395 7.81207 4.67662 11.1 5.32922 5.31024 11.0824 6.14151 7.15475 9.49653 10.3477 5.26247 9.07935 numMergedOcc 0
47 mol 142 unq 3 iso 0 dist 9.2313 8.96657 11.1395 7.18002 13.5913 6.52253 5.32922 5.31024 11.0824 10.7696 7.15475 9.49653 10.3477 12.2806 9.07935 numMergedOcc 0
48 mol 142 unq 4 iso 0 dist 5.31024 7.26382 5.50998 6.14151 4.67662 5.81599 5.32922 9.2313 7.73169 7.81207 9.07935 9.49653 7.53854 5.26247 7.15475 numMergedOcc 0
49 mol 142 unq 5 iso 0 dist 7.73169 9.2313 5.50998 7.81207 5.81599 4.67662 5.32922 7.26382 5.31024 6.14151 7.15475 7.53854 9.49653 5.26247 9.07935 numMergedOcc 0
50 mol 142 unq 6 iso 0 dist 7.73169 9.2313 5.50998 7.18002 9.99555 13.5913 5.32922 7.26382 5.31024 10.7696 7.15475 7.53854 9.49653 12.2806 9.07935 numMergedOcc 0
51 mol 142 unq 7 iso 0 dist 7.73169 8.96657 5.92693 7.81207 5.81599 11.1 5.32922 7.26382 11.0824 6.14151 7.15475 7.53854 10.3477 5.26247 9.07935 numMergedOcc 0
52 mol 142 unq 8 iso 0 dist 7.73169 8.96657 5.92693 7.18002 9.99555 6.52253 5.32922 7.26382 11.0824 10.7696 7.15475 7.53854 10.3477 12.2806 9.07935 numMergedOcc 0
53 mol 142 unq 9 iso 0 dist 7.26382 5.31024 5.50998 6.14151 5.81599 4.67662 5.32922 7.73169 9.2313 7.81207 9.07935 7.53854 9.49653 5.26247 7.15475 numMergedOcc 0
54 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 8.97626 9.16779 4.91785 5.71071 6.23493 10.2463 12.9034 9.14392 6.3845 12.1814 12.0485 7.16254 numMergedOcc 0
55 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 8.97626 9.16779 4.91785 5.71071 6.23493 10.2463 12.9034 7.51198 5.86939 6.34186 4.48516 9.86313 numMergedOcc 0
56 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 8.88798 5.98885 10.7062 13.2783 10.2276 5.4601 10.7112 9.37649 7.20046 numMergedOcc 0
57 mol 181 unq 1 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 8.88798 5.98885 10.7062 13.2783 10.7636 10.0524 7.07409 9.04392 7.13543 numMergedOcc 0
58 mol 181 unq 2 iso 0 dist 9.1374 8.03334 13.2049 9.76212 12.9532 6.50233 12.1628 9.15386 14.9794 18.2853 13.2702 8.25067 19.5806 20.3687 9.6668 numMergedOcc 0
59 mol 224 unq 0 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 4.70378 8.95269 9.99123 13.2325 10.0414 9.36098 12.5195 16.0684 7.06793 numMergedOcc 0
60 mol 224 unq 1 iso 0 dist 6.57273 6.60589 5.0744 8.79428 7.05804 5.76843 4.70378 8.95269 9.99123 13.2325 6.65984 5.29877 6.12232 10.9705 6.67585 numMergedOcc 0
61 mol 224 unq 2 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.5372 8.95269 9.99123 13.2325 12.7072 9.36098 12.5195 16.0684 7.06793 numMergedOcc 0
62 mol 224 unq 3 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 11.5372 8.95269 9.99123 13.2325 10.667 5.29877 6.12232 10.9705 6.67585 numMergedOcc 0
63 mol 224 unq 4 iso 0 dist 5.78342 9.16166 5.0744 6.8692 7.05804 5.76843 8.49799 6.57273 6.60589 8.79428 10.667 5.29877 6.12232 10.9705 6.65984 numMergedOcc 0
64 mol 224 unq 5 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 11.5372 8.95269 14.0676 13.2325 12.7072 9.36098 14.7761 16.0684 7.06793 numMergedOcc 0
65 mol 224 unq 6 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 11.5372 8.95269 14.0676 13.2325 10.667 5.29877 10.449 10.9705 6.67585 numMergedOcc 0
66 mol 224 unq 7 iso 0 dist 5.78342 5.81334 5.60236 6.8692 7.05804 4.54188 8.49799 6.57273 10.5128 8.79428 10.667 5.29877 10.449 10.9705 6.65984 numMergedOcc 0
67 mol 224 unq 8 iso 0 dist 9.16166 5.78342 5.0744 6.8692 5.76843 7.05804 8.49799 6.60589 6.57273 8.79428 10.667 6.12232 5.29877 10.9705 6.65984 numMergedOcc 0
68 mol 224 unq 9 iso 0 dist 9.16166 5.81334 6.91102 6.8692 5.76843 4.54188 8.49799 6.60589 10.5128 8.79428 10.667 6.12232 10.449 10.9705 6.65984 numMergedOcc 0
69 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 5.22356 8.65997 10.8157 6.91318 13.4493 14.6185 17.2469 11.5454 9.62609 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 5.22356 8.65997 10.8157 6.91318 8.17891 6.43754 9.13836 4.09934 6.95902 numMergedOcc 0
71 mol 227 unq 2 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 12.4689 7.55216 10.0334 12.3663 15.9414 11.662 10.614 15.9047 8.83563 numMergedOcc 0
72 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 5.88703 6.56247 9.36357 11.6391 7.85175 11.216 11.4315 10.5304 6.25105 numMergedOcc 0
73 mol 234 unq 1 iso 0 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 5.88703 9.36357 6.56247 11.6391 7.85175 11.4315 11.216 10.5304 6.25105 numMergedOcc 0
74 mol 236 unq 0 iso 0 dist 9.81562 7.68742 5.79505 9.3206 4.27181 4.89609 7.28249 8.03456 6.84306 10.1317 5.34718 11.8759 11.3552 13.0765 7.17676 numMergedOcc 0
75 mol 236 unq 1 iso 0 dist 9.81562 7.68742 5.79505 9.3206 4.27181 4.89609 7.28249 8.03456 6.84306 10.1317 10.5713 9.07822 11.6837 12.5813 6.68463 numMergedOcc 0
76 mol 236 unq 2 iso 0 dist 9.81562 6.27581 9.90963 9.3206 4.27181 10.5774 7.28249 8.03456 9.99038 10.1317 5.34718 11.8759 6.04825 13.0765 7.17676 numMergedOcc 0
77 mol 236 unq 3 iso 0 dist 9.81562 6.27581 9.90963 9.3206 4.27181 10.5774 7.28249 8.03456 9.99038 10.1317 10.5713 9.07822 8.8265 12.5813 6.68463 numMergedOcc 0
78 mol 236 unq 4 iso 0 dist 7.68742 9.81562 5.79505 9.3206 4.89609 4.27181 7.28249 6.84306 8.03456 10.1317 5.34718 11.3552 11.8759 13.0765 7.17676 numMergedOcc 0
79 mol 236 unq 5 iso 0 dist 7.68742 9.81562 5.79505 9.3206 4.89609 4.27181 7.28249 6.84306 8.03456 10.1317 10.5713 11.6837 9.07822 12.5813 6.68463 numMergedOcc 0
80 mol 236 unq 6 iso 0 dist 7.68742 6.27581 11.3368 9.3206 4.89609 10.5774 7.28249 6.84306 9.99038 10.1317 5.34718 11.3552 6.04825 13.0765 7.17676 numMergedOcc 0
81 mol 236 unq 7 iso 0 dist 7.68742 6.27581 11.3368 9.3206 4.89609 10.5774 7.28249 6.84306 9.99038 10.1317 10.5713 11.6837 8.8265 12.5813 6.68463 numMergedOcc 0
82 mol 236 unq 8 iso 0 dist 6.27581 9.81562 9.90963 9.3206 10.5774 4.27181 7.28249 9.99038 8.03456 10.1317 5.34718 6.04825 11.8759 13.0765 7.17676 numMergedOcc 0
83 mol 236 unq 9 iso 0 dist 6.27581 9.81562 9.90963 9.3206 10.5774 4.27181 7.28249 9.99038 8.03456 10.1317 10.5713 8.8265 9.07822 12.5813 6.68463 numMergedOcc 0
84 mol 236 unq 10 iso 0 dist 6.27581 7.68742 11.3368 9.3206 10.5774 4.89609 7.28249 9.99038 6.84306 10.1317 5.34718 6.04825 11.3552 13.0765 7.17676 numMergedOcc 0
85 mol 236 unq 11 iso 0 dist 6.27581 7.68742 11.3368 9.3206 10.5774 4.89609 7.28249 9.99038 6.84306 10.1317 10.5713 8.8265 11.6837 12.5813 6.68463 numMergedOcc 0
86 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 9.07743 8.8603 6.73882 4.69778 7.88519 10.5767 7.66153 10.9591 11.6195 17.9331 14.0829 7.48005 numMergedOcc 0
