0 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 17.2959 10.0952 6.86014 11.6434 5.11636 7.95042 5.69214 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 6.22122 4.33106 7.17969 9.55662 10.2864 4.79873 11.4148 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 6.22122 4.33106 7.17969 9.95169 5.18617 9.48085 5.68041 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 6.22122 4.96681 7.17969 9.22151 4.33106 7.57578 9.55662 11.4148 4.79873 10.2864 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 9.22151 4.33106 7.57578 9.95169 5.68041 9.48085 5.18617 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 10.1663 8.24309 9.78528 12.0518 5.69391 9.55118 9.78221 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 10.1663 8.24309 9.78528 19.2494 13.4212 9.10345 11.6634 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 12.3223 10.7394 8.8178 8.16985 7.47371 7.12321 4.27726 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 17.1838 10.7229 7.95579 11.6278 5.59906 7.7068 6.36397 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 13.2962 6.9948 6.19965 11.6278 5.59906 7.7068 4.41789 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 8.38273 5.43561 7.82475 5.9143 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 8.96916 5.92158 6.45675 5.70279 5.33144 7.47343 5.30117 6.30222 5.35782 5.47563 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 8.96916 5.92158 6.45675 9.71692 9.71151 8.86688 8.38273 5.43561 7.82475 5.25234 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 8.96916 5.92158 6.45675 9.71692 9.71151 8.86688 5.30117 6.30222 5.35782 5.03232 numMergedOcc 0
14 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 8.96916 5.33144 6.45675 8.38273 5.9143 7.82475 5.43561 numMergedOcc 0
15 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 8.96916 5.33144 6.45675 5.30117 5.47563 5.35782 6.30222 numMergedOcc 0
16 mol 100 unq 6 iso 0 dist 5.70279 5.92158 7.47343 9.71692 10.1407 8.86688 8.38273 5.9143 7.82475 5.25234 numMergedOcc 0
17 mol 100 unq 7 iso 0 dist 5.70279 5.92158 7.47343 9.71692 10.1407 8.86688 5.30117 5.47563 5.35782 5.03232 numMergedOcc 0
18 mol 100 unq 8 iso 0 dist 5.70279 5.85449 6.65086 11.3277 5.88134 9.60661 10.7785 6.23008 8.91882 4.03277 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 12.9647 7.69052 5.83991 13.829 6.95773 6.24825 6.01673 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 11.6152 13.1058 7.90328 8.54233 6.57678 6.10127 10.5783 numMergedOcc 0
21 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 11.0698 7.22206 7.83136 11.6159 7.20875 8.84018 3.77029 numMergedOcc 0
22 mol 117 unq 2 iso 0 dist 7.0318 5.21051 7.90328 10.5123 9.3584 7.0603 11.6159 7.20875 8.84018 5.21535 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 9.79004 7.33132 8.22656 8.43069 5.61668 6.82262 4.79003 6.9945 7.22643 4.19723 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 8.43069 7.33132 6.82262 9.79004 5.61668 8.22656 4.79003 4.19723 7.22643 6.9945 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 12.3933 5.49782 8.94367 15.3301 10.8635 9.33094 7.41373 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 5.57904 5.00817 6.49416 15.3301 10.8635 9.33094 12.3479 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 12.3933 5.49782 9.86662 17.5459 15.0225 9.1998 12.8086 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.27598 12.0971 9.71307 12.3933 5.49782 9.86662 15.3301 10.8635 8.69531 7.41373 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 5.57904 6.50005 6.49416 12.3933 8.80819 8.94367 15.3301 12.3479 9.33094 7.41373 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 5.57904 6.50005 6.49416 7.27598 5.00817 6.37586 15.3301 12.3479 9.33094 10.8635 numMergedOcc 0
31 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 10.5719 5.50998 7.73169 5.90339 4.67662 7.81207 5.81599 numMergedOcc 0
32 mol 142 unq 1 iso 0 dist 7.15087 8.68855 9.2313 10.5719 5.50998 7.73169 15.501 13.5913 7.18002 9.99555 numMergedOcc 0
33 mol 142 unq 2 iso 0 dist 7.15087 8.68855 9.2313 15.3413 11.1395 8.96657 5.90339 4.67662 7.81207 11.1 numMergedOcc 0
34 mol 142 unq 3 iso 0 dist 7.15087 8.68855 9.2313 15.3413 11.1395 8.96657 15.501 13.5913 7.18002 6.52253 numMergedOcc 0
35 mol 142 unq 4 iso 0 dist 7.15087 5.50176 5.31024 10.5719 5.50998 7.26382 5.90339 4.67662 6.14151 5.81599 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 12.7322 7.66392 7.46303 8.14405 4.91785 8.97626 9.16779 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 12.9169 7.38516 6.03031 16.3573 13.514 6.52816 9.49403 numMergedOcc 0
38 mol 205 unq 1 iso 0 dist 6.15806 10.6362 7.26832 17.5925 13.8543 7.80463 16.3573 13.514 6.52816 3.56269 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 8.5834 6.8425 7.54212 11.2674 8.84507 6.74196 12.8595 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 8.7419 5.01062 6.00706 8.5834 6.8425 7.54212 10.656 6.02502 8.36842 12.5866 numMergedOcc 0
41 mol 222 unq 2 iso 0 dist 8.7419 5.01062 6.00706 8.5834 6.8425 7.54212 12.4834 5.18677 9.75472 11.9567 numMergedOcc 0
42 mol 222 unq 3 iso 0 dist 8.5834 5.01062 7.54212 8.7419 6.8425 6.00706 11.2674 12.8595 6.74196 8.84507 numMergedOcc 0
43 mol 222 unq 4 iso 0 dist 8.5834 5.01062 7.54212 8.7419 6.8425 6.00706 10.656 12.5866 8.36842 6.02502 numMergedOcc 0
44 mol 222 unq 5 iso 0 dist 8.5834 5.01062 7.54212 8.7419 6.8425 6.00706 12.4834 11.9567 9.75472 5.18677 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 10.1632 5.0744 6.60589 5.31916 7.05804 8.79428 5.76843 numMergedOcc 0
46 mol 224 unq 1 iso 0 dist 9.73411 5.99647 5.78342 10.1632 5.0744 9.16166 5.31916 7.05804 6.8692 5.76843 numMergedOcc 0
47 mol 224 unq 2 iso 0 dist 9.73411 5.99647 5.78342 7.75485 5.60236 5.81334 5.31916 7.05804 6.8692 4.54188 numMergedOcc 0
48 mol 224 unq 3 iso 0 dist 7.75485 5.99647 5.81334 9.73411 5.60236 5.78342 5.31916 4.54188 6.8692 7.05804 numMergedOcc 0
49 mol 224 unq 4 iso 0 dist 7.75485 5.99647 5.81334 10.1632 6.91102 9.16166 5.31916 4.54188 6.8692 5.76843 numMergedOcc 0
50 mol 224 unq 5 iso 0 dist 7.07564 10.8463 6.57273 12.0295 5.0744 6.60589 11.6723 7.05804 8.79428 5.76843 numMergedOcc 0
51 mol 224 unq 6 iso 0 dist 7.07564 5.44863 5.78342 12.0295 5.0744 9.16166 11.6723 7.05804 6.8692 5.76843 numMergedOcc 0
52 mol 224 unq 7 iso 0 dist 7.07564 5.44863 5.78342 9.11052 5.60236 5.81334 11.6723 7.05804 6.8692 4.54188 numMergedOcc 0
53 mol 224 unq 8 iso 0 dist 9.11052 5.44863 5.81334 7.07564 5.60236 5.78342 11.6723 4.54188 6.8692 7.05804 numMergedOcc 0
54 mol 224 unq 9 iso 0 dist 9.11052 5.44863 5.81334 12.0295 6.91102 9.16166 11.6723 4.54188 6.8692 5.76843 numMergedOcc 0
55 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 5.00457 5.57838 7.03423 10.3383 5.70473 7.27993 7.22525 numMergedOcc 0
56 mol 229 unq 1 iso 0 dist 5.00457 5.65373 7.03423 8.8557 5.57838 8.22528 10.3383 7.22525 7.27993 5.70473 numMergedOcc 0
57 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 7.64276 5.34096 7.31233 10.7584 12.7938 9.08509 11.0772 numMergedOcc 0
58 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 4.87108 5.34096 6.22714 10.7584 11.0772 9.08509 12.7938 numMergedOcc 0
59 mol 238 unq 2 iso 0 dist 6.54455 5.17954 6.22714 10.2875 5.34096 7.31233 11.2947 12.7938 9.08509 11.0772 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 5.75874 5.20592 8.53687 10.9903 10.582 8.13497 6.95658 6.73882 9.07743 8.8603 numMergedOcc 0
61 mol 276 unq 0 iso 0 dist 8.79189 6.33662 6.87396 13.9936 6.88557 9.8993 8.51449 8.26321 8.6759 9.39944 numMergedOcc 0
