0 mol 18 unq 0 iso 0 dist 8.25905 16.1629 9.35863 6.82841 5.04478 10.6819 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.25905 6.82841 5.04478 16.1629 9.35863 10.6819 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.71628 5.06894 5.9809 9.95303 5.83917 5.28474 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 8.71628 9.95303 5.83917 5.06894 5.9809 5.28474 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 4.82549 10.0518 9.35562 6.53652 8.63857 15.9052 numMergedOcc 0
5 mol 21 unq 0 iso 1 dist 4.82549 6.53652 8.63857 10.0518 9.35562 15.9052 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.50453 6.9246 8.38156 12.5287 7.79336 13.1232 numMergedOcc 0
7 mol 34 unq 0 iso 1 dist 8.50453 12.5287 7.79336 6.9246 8.38156 13.1232 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 8.50453 6.9246 8.38156 13.6582 7.08559 12.7516 numMergedOcc 0
9 mol 34 unq 1 iso 1 dist 8.50453 13.6582 7.08559 6.9246 8.38156 12.7516 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 8.50453 12.5287 7.79336 13.6582 7.08559 3.39994 numMergedOcc 0
11 mol 34 unq 1 iso 1 dist 8.50453 13.6582 7.08559 12.5287 7.79336 3.39994 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 6.74716 8.09738 8.38156 7.48264 7.79336 13.1232 numMergedOcc 0
13 mol 34 unq 2 iso 1 dist 6.74716 7.48264 7.79336 8.09738 8.38156 13.1232 numMergedOcc 0
14 mol 34 unq 3 iso 0 dist 6.74716 8.09738 8.38156 9.18464 7.08559 12.7516 numMergedOcc 0
15 mol 34 unq 3 iso 1 dist 6.74716 9.18464 7.08559 8.09738 8.38156 12.7516 numMergedOcc 0
16 mol 34 unq 3 iso 0 dist 6.74716 7.48264 7.79336 9.18464 7.08559 3.39994 numMergedOcc 0
17 mol 34 unq 3 iso 1 dist 6.74716 9.18464 7.08559 7.48264 7.79336 3.39994 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 7.95972 8.94836 7.93683 10.6185 6.7272 5.17981 numMergedOcc 0
19 mol 72 unq 0 iso 1 dist 7.95972 10.6185 6.7272 8.94836 7.93683 5.17981 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 7.95972 8.94836 7.93683 4.89334 7.64009 5.56281 numMergedOcc 0
21 mol 72 unq 1 iso 1 dist 7.95972 4.89334 7.64009 8.94836 7.93683 5.56281 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 7.95972 10.6185 6.7272 4.89334 7.64009 9.20237 numMergedOcc 0
23 mol 72 unq 1 iso 1 dist 7.95972 4.89334 7.64009 10.6185 6.7272 9.20237 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 9.40904 13.5243 9.51318 16.038 9.84457 5.04906 numMergedOcc 0
25 mol 95 unq 0 iso 1 dist 9.40904 16.038 9.84457 13.5243 9.51318 5.04906 numMergedOcc 0
26 mol 95 unq 1 iso 0 dist 6.47401 13.573 9.51318 14.6933 9.84457 5.04906 numMergedOcc 0
27 mol 95 unq 1 iso 1 dist 6.47401 14.6933 9.84457 13.573 9.51318 5.04906 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 6.85365 4.9759 8.91262 6.59976 6.12922 5.11 numMergedOcc 0
29 mol 112 unq 0 iso 1 dist 6.85365 6.59976 6.12922 4.9759 8.91262 5.11 numMergedOcc 0
30 mol 126 unq 0 iso 0 dist 6.35364 10.6053 8.7789 13.8413 9.93613 6.16496 numMergedOcc 0
31 mol 126 unq 0 iso 1 dist 6.35364 13.8413 9.93613 10.6053 8.7789 6.16496 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 5.98435 4.72407 6.44575 7.97297 7.43401 5.83782 numMergedOcc 0
33 mol 134 unq 0 iso 1 dist 5.98435 7.97297 7.43401 4.72407 6.44575 5.83782 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 4.87879 8.17498 5.73203 10.9758 6.57379 4.87973 numMergedOcc 0
35 mol 134 unq 1 iso 1 dist 4.87879 10.9758 6.57379 8.17498 5.73203 4.87973 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 6.76614 6.6473 5.73203 10.3627 6.57379 4.87973 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 6.76614 10.3627 6.57379 6.6473 5.73203 4.87973 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 8.80672 6.67639 5.73203 4.4987 6.57379 4.87973 numMergedOcc 0
39 mol 134 unq 3 iso 1 dist 8.80672 4.4987 6.57379 6.67639 5.73203 4.87973 numMergedOcc 0
40 mol 228 unq 0 iso 0 dist 9.79291 14.2513 8.66946 11.0879 8.55761 5.90992 numMergedOcc 0
41 mol 228 unq 0 iso 1 dist 9.79291 11.0879 8.55761 14.2513 8.66946 5.90992 numMergedOcc 0
42 mol 233 unq 0 iso 0 dist 5.34745 6.49444 8.24424 6.63339 7.0942 3.55463 numMergedOcc 0
43 mol 233 unq 0 iso 1 dist 5.34745 6.63339 7.0942 6.49444 8.24424 3.55463 numMergedOcc 0
44 mol 233 unq 1 iso 0 dist 5.34745 6.49444 8.24424 9.86764 6.01775 8.23358 numMergedOcc 0
45 mol 233 unq 1 iso 1 dist 5.34745 9.86764 6.01775 6.49444 8.24424 8.23358 numMergedOcc 0
46 mol 233 unq 1 iso 0 dist 5.34745 6.63339 7.0942 9.86764 6.01775 6.91967 numMergedOcc 0
47 mol 233 unq 1 iso 1 dist 5.34745 9.86764 6.01775 6.63339 7.0942 6.91967 numMergedOcc 0
48 mol 233 unq 2 iso 0 dist 7.99897 9.1334 8.24424 9.81222 7.0942 3.55463 numMergedOcc 0
49 mol 233 unq 2 iso 1 dist 7.99897 9.81222 7.0942 9.1334 8.24424 3.55463 numMergedOcc 0
50 mol 233 unq 3 iso 0 dist 7.99897 9.1334 8.24424 5.17683 6.01775 8.23358 numMergedOcc 0
51 mol 233 unq 3 iso 1 dist 7.99897 5.17683 6.01775 9.1334 8.24424 8.23358 numMergedOcc 0
52 mol 233 unq 3 iso 0 dist 7.99897 9.81222 7.0942 5.17683 6.01775 6.91967 numMergedOcc 0
53 mol 233 unq 3 iso 1 dist 7.99897 5.17683 6.01775 9.81222 7.0942 6.91967 numMergedOcc 0
54 mol 233 unq 4 iso 0 dist 8.98366 12.3327 8.24424 8.89879 7.0942 3.55463 numMergedOcc 0
55 mol 233 unq 4 iso 1 dist 8.98366 8.89879 7.0942 12.3327 8.24424 3.55463 numMergedOcc 0
56 mol 233 unq 5 iso 0 dist 8.98366 12.3327 8.24424 9.7363 6.01775 8.23358 numMergedOcc 0
57 mol 233 unq 5 iso 1 dist 8.98366 9.7363 6.01775 12.3327 8.24424 8.23358 numMergedOcc 0
58 mol 233 unq 5 iso 0 dist 8.98366 8.89879 7.0942 9.7363 6.01775 6.91967 numMergedOcc 0
59 mol 233 unq 5 iso 1 dist 8.98366 9.7363 6.01775 8.89879 7.0942 6.91967 numMergedOcc 0
60 mol 254 unq 0 iso 0 dist 9.16587 13.0023 9.66641 12.1584 9.26575 3.42946 numMergedOcc 0
61 mol 254 unq 0 iso 1 dist 9.16587 12.1584 9.26575 13.0023 9.66641 3.42946 numMergedOcc 0
62 mol 267 unq 0 iso 0 dist 6.87713 5.30771 6.32877 7.81198 9.48115 6.14857 numMergedOcc 0
63 mol 267 unq 0 iso 1 dist 6.87713 7.81198 9.48115 5.30771 6.32877 6.14857 numMergedOcc 0
64 mol 267 unq 1 iso 0 dist 6.87713 5.30771 6.32877 14.1912 8.38545 12.5387 numMergedOcc 0
65 mol 267 unq 1 iso 1 dist 6.87713 14.1912 8.38545 5.30771 6.32877 12.5387 numMergedOcc 0
66 mol 267 unq 2 iso 0 dist 6.87713 5.30771 6.32877 10.6273 5.08174 11.3792 numMergedOcc 0
67 mol 267 unq 2 iso 1 dist 6.87713 10.6273 5.08174 5.30771 6.32877 11.3792 numMergedOcc 0
68 mol 267 unq 3 iso 0 dist 6.87713 5.30771 6.32877 11.0675 6.10838 11.7355 numMergedOcc 0
69 mol 267 unq 3 iso 1 dist 6.87713 11.0675 6.10838 5.30771 6.32877 11.7355 numMergedOcc 0
70 mol 267 unq 1 iso 0 dist 6.87713 7.81198 9.48115 14.1912 8.38545 12.3649 numMergedOcc 0
71 mol 267 unq 1 iso 1 dist 6.87713 14.1912 8.38545 7.81198 9.48115 12.3649 numMergedOcc 0
72 mol 267 unq 2 iso 0 dist 6.87713 7.81198 9.48115 10.6273 5.08174 13.5886 numMergedOcc 0
73 mol 267 unq 2 iso 1 dist 6.87713 10.6273 5.08174 7.81198 9.48115 13.5886 numMergedOcc 0
74 mol 267 unq 3 iso 0 dist 6.87713 7.81198 9.48115 11.0675 6.10838 12.2591 numMergedOcc 0
75 mol 267 unq 3 iso 1 dist 6.87713 11.0675 6.10838 7.81198 9.48115 12.2591 numMergedOcc 0
76 mol 267 unq 2 iso 0 dist 6.87713 14.1912 8.38545 10.6273 5.08174 7.9327 numMergedOcc 0
77 mol 267 unq 2 iso 1 dist 6.87713 10.6273 5.08174 14.1912 8.38545 7.9327 numMergedOcc 0
78 mol 267 unq 3 iso 0 dist 6.87713 14.1912 8.38545 11.0675 6.10838 5.97578 numMergedOcc 0
79 mol 267 unq 3 iso 1 dist 6.87713 11.0675 6.10838 14.1912 8.38545 5.97578 numMergedOcc 0
80 mol 267 unq 3 iso 0 dist 6.87713 10.6273 5.08174 11.0675 6.10838 3.51278 numMergedOcc 0
81 mol 267 unq 3 iso 1 dist 6.87713 11.0675 6.10838 10.6273 5.08174 3.51278 numMergedOcc 0
82 mol 267 unq 4 iso 0 dist 8.87518 11.6034 6.32877 12.9552 9.48115 6.14857 numMergedOcc 0
83 mol 267 unq 4 iso 1 dist 8.87518 12.9552 9.48115 11.6034 6.32877 6.14857 numMergedOcc 0
84 mol 267 unq 5 iso 0 dist 8.87518 11.6034 6.32877 5.23612 8.38545 12.5387 numMergedOcc 0
85 mol 267 unq 5 iso 1 dist 8.87518 5.23612 8.38545 11.6034 6.32877 12.5387 numMergedOcc 0
86 mol 267 unq 6 iso 0 dist 8.87518 11.6034 6.32877 10.1261 5.08174 11.3792 numMergedOcc 0
87 mol 267 unq 6 iso 1 dist 8.87518 10.1261 5.08174 11.6034 6.32877 11.3792 numMergedOcc 0
88 mol 267 unq 7 iso 0 dist 8.87518 11.6034 6.32877 9.74815 6.10838 11.7355 numMergedOcc 0
89 mol 267 unq 7 iso 1 dist 8.87518 9.74815 6.10838 11.6034 6.32877 11.7355 numMergedOcc 0
90 mol 267 unq 5 iso 0 dist 8.87518 12.9552 9.48115 5.23612 8.38545 12.3649 numMergedOcc 0
91 mol 267 unq 5 iso 1 dist 8.87518 5.23612 8.38545 12.9552 9.48115 12.3649 numMergedOcc 0
92 mol 267 unq 6 iso 0 dist 8.87518 12.9552 9.48115 10.1261 5.08174 13.5886 numMergedOcc 0
93 mol 267 unq 6 iso 1 dist 8.87518 10.1261 5.08174 12.9552 9.48115 13.5886 numMergedOcc 0
94 mol 267 unq 7 iso 0 dist 8.87518 12.9552 9.48115 9.74815 6.10838 12.2591 numMergedOcc 0
95 mol 267 unq 7 iso 1 dist 8.87518 9.74815 6.10838 12.9552 9.48115 12.2591 numMergedOcc 0
96 mol 267 unq 6 iso 0 dist 8.87518 5.23612 8.38545 10.1261 5.08174 7.9327 numMergedOcc 0
97 mol 267 unq 6 iso 1 dist 8.87518 10.1261 5.08174 5.23612 8.38545 7.9327 numMergedOcc 0
98 mol 267 unq 7 iso 0 dist 8.87518 5.23612 8.38545 9.74815 6.10838 5.97578 numMergedOcc 0
99 mol 267 unq 7 iso 1 dist 8.87518 9.74815 6.10838 5.23612 8.38545 5.97578 numMergedOcc 0
100 mol 267 unq 7 iso 0 dist 8.87518 10.1261 5.08174 9.74815 6.10838 3.51278 numMergedOcc 0
101 mol 267 unq 7 iso 1 dist 8.87518 9.74815 6.10838 10.1261 5.08174 3.51278 numMergedOcc 0
102 mol 272 unq 0 iso 0 dist 6.27189 13.4399 8.84523 5.87335 6.95241 9.5745 numMergedOcc 0
103 mol 272 unq 0 iso 1 dist 6.27189 5.87335 6.95241 13.4399 8.84523 9.5745 numMergedOcc 0
