0 mol 7 unq 0 iso 0 dist 7.10621 6.1206 7.12508 7.67927 11.143 4.80709 13.8829 8.72114 11.2901 16.0449 12.9581 6.34041 10.1841 14.4236 6.14469 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.10621 7.67927 11.143 6.1206 7.12508 4.80709 13.8829 8.72114 16.0449 11.2901 12.9581 6.34041 14.4236 10.1841 6.14469 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.57077 8.55451 8.69454 5.8245 5.84314 3.58336 9.5997 9.62394 14.126 10.9352 14.519 16.147 18.136 15.8052 7.35972 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.57077 5.8245 5.84314 8.55451 8.69454 3.58336 9.5997 9.62394 10.9352 14.126 14.519 16.147 15.8052 18.136 7.35972 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.57077 8.55451 8.69454 5.8245 5.84314 3.58336 9.5997 9.62394 14.126 10.9352 18.1148 19.4709 22.8835 20.1606 9.93542 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 8.57077 5.8245 5.84314 8.55451 8.69454 3.58336 9.5997 9.62394 10.9352 14.126 18.1148 19.4709 20.1606 22.8835 9.93542 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 14.012 9.41441 19.932 17.7407 12.9284 4.32034 15.7403 16.8505 8.00171 numMergedOcc 0
7 mol 24 unq 0 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 14.012 9.41441 17.7407 19.932 12.9284 4.32034 16.8505 15.7403 8.00171 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 14.012 9.41441 19.932 17.7407 17.592 12.2662 22.4384 18.5058 5.95834 numMergedOcc 0
9 mol 24 unq 1 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 14.012 9.41441 17.7407 19.932 17.592 12.2662 18.5058 22.4384 5.95834 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 14.012 9.41441 19.932 17.7407 13.4393 8.67951 18.4902 15.0276 4.2121 numMergedOcc 0
11 mol 24 unq 2 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 14.012 9.41441 17.7407 19.932 13.4393 8.67951 15.0276 18.4902 4.2121 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 8.86116 8.09311 11.6226 9.05357 13.1949 9.95274 14.012 9.41441 19.932 17.7407 8.60554 8.52463 15.4445 11.8971 6.72323 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 8.86116 9.05357 13.1949 8.09311 11.6226 9.95274 14.012 9.41441 17.7407 19.932 8.60554 8.52463 11.8971 15.4445 6.72323 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 5.54419 6.6219 4.82629 5.68215 10.1698 10.512 5.11617 8.4051 11.3231 6.61696 6.73939 12.176 12.5545 4.08755 6.72323 numMergedOcc 0
15 mol 24 unq 4 iso 1 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 5.11617 8.4051 6.61696 11.3231 6.73939 12.176 4.08755 12.5545 6.72323 numMergedOcc 0
16 mol 24 unq 5 iso 0 dist 7.36323 8.87744 6.28159 7.27472 5.50396 3.73215 13.2229 8.4051 12.3034 9.84204 18.673 12.176 15.9573 14.7634 6.72323 numMergedOcc 0
17 mol 24 unq 5 iso 1 dist 7.36323 7.27472 5.50396 8.87744 6.28159 3.73215 13.2229 8.4051 9.84204 12.3034 18.673 12.176 14.7634 15.9573 6.72323 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 5.04899 7.52933 5.03027 6.55597 4.69295 6.53015 5.77929 8.87757 12.7995 9.16515 7.45383 7.33728 11.0227 4.98822 6.25843 numMergedOcc 0
19 mol 25 unq 0 iso 1 dist 5.04899 6.55597 4.69295 7.52933 5.03027 6.53015 5.77929 8.87757 9.16515 12.7995 7.45383 7.33728 4.98822 11.0227 6.25843 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 5.04899 7.52933 5.03027 6.55597 4.69295 6.53015 5.77929 8.87757 12.7995 9.16515 9.01548 13.9331 15.1255 13.4321 8.88938 numMergedOcc 0
21 mol 25 unq 1 iso 1 dist 5.04899 6.55597 4.69295 7.52933 5.03027 6.53015 5.77929 8.87757 9.16515 12.7995 9.01548 13.9331 13.4321 15.1255 8.88938 numMergedOcc 0
22 mol 25 unq 2 iso 0 dist 5.04899 7.52933 5.03027 9.71956 12.2542 11.8984 5.77929 8.87757 12.7995 11.5214 7.45383 7.33728 11.0227 10.3547 6.25843 numMergedOcc 0
23 mol 25 unq 2 iso 1 dist 5.04899 9.71956 12.2542 7.52933 5.03027 11.8984 5.77929 8.87757 11.5214 12.7995 7.45383 7.33728 10.3547 11.0227 6.25843 numMergedOcc 0
24 mol 25 unq 3 iso 0 dist 5.04899 7.52933 5.03027 9.71956 12.2542 11.8984 5.77929 8.87757 12.7995 11.5214 9.01548 13.9331 15.1255 8.84447 8.88938 numMergedOcc 0
25 mol 25 unq 3 iso 1 dist 5.04899 9.71956 12.2542 7.52933 5.03027 11.8984 5.77929 8.87757 11.5214 12.7995 9.01548 13.9331 8.84447 15.1255 8.88938 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 5.04899 7.52933 5.03027 7.07751 8.79309 8.64476 5.77929 8.87757 12.7995 9.82987 7.45383 7.33728 11.0227 7.91914 6.25843 numMergedOcc 0
27 mol 25 unq 4 iso 1 dist 5.04899 7.07751 8.79309 7.52933 5.03027 8.64476 5.77929 8.87757 9.82987 12.7995 7.45383 7.33728 7.91914 11.0227 6.25843 numMergedOcc 0
28 mol 25 unq 5 iso 0 dist 5.04899 7.52933 5.03027 7.07751 8.79309 8.64476 5.77929 8.87757 12.7995 9.82987 9.01548 13.9331 15.1255 9.66912 8.88938 numMergedOcc 0
29 mol 25 unq 5 iso 1 dist 5.04899 7.07751 8.79309 7.52933 5.03027 8.64476 5.77929 8.87757 9.82987 12.7995 9.01548 13.9331 9.66912 15.1255 8.88938 numMergedOcc 0
30 mol 25 unq 6 iso 0 dist 5.04899 7.52933 5.03027 8.23761 8.17061 4.64241 5.77929 8.87757 12.7995 13.3492 7.45383 7.33728 11.0227 11.7069 6.25843 numMergedOcc 0
31 mol 25 unq 6 iso 1 dist 5.04899 8.23761 8.17061 7.52933 5.03027 4.64241 5.77929 8.87757 13.3492 12.7995 7.45383 7.33728 11.7069 11.0227 6.25843 numMergedOcc 0
32 mol 25 unq 7 iso 0 dist 5.04899 7.52933 5.03027 8.23761 8.17061 4.64241 5.77929 8.87757 12.7995 13.3492 9.01548 13.9331 15.1255 13.1117 8.88938 numMergedOcc 0
33 mol 25 unq 7 iso 1 dist 5.04899 8.23761 8.17061 7.52933 5.03027 4.64241 5.77929 8.87757 13.3492 12.7995 9.01548 13.9331 13.1117 15.1255 8.88938 numMergedOcc 0
34 mol 25 unq 8 iso 0 dist 5.04899 7.52933 5.03027 9.49421 13.6145 16.0628 5.77929 8.87757 12.7995 6.53269 7.45383 7.33728 11.0227 9.62058 6.25843 numMergedOcc 0
35 mol 25 unq 8 iso 1 dist 5.04899 9.49421 13.6145 7.52933 5.03027 16.0628 5.77929 8.87757 6.53269 12.7995 7.45383 7.33728 9.62058 11.0227 6.25843 numMergedOcc 0
36 mol 25 unq 9 iso 0 dist 5.04899 7.52933 5.03027 9.49421 13.6145 16.0628 5.77929 8.87757 12.7995 6.53269 9.01548 13.9331 15.1255 5.38592 8.88938 numMergedOcc 0
37 mol 25 unq 9 iso 1 dist 5.04899 9.49421 13.6145 7.52933 5.03027 16.0628 5.77929 8.87757 6.53269 12.7995 9.01548 13.9331 5.38592 15.1255 8.88938 numMergedOcc 0
38 mol 25 unq 2 iso 0 dist 5.04899 6.55597 4.69295 9.71956 12.2542 9.19736 5.77929 8.87757 9.16515 11.5214 7.45383 7.33728 4.98822 10.3547 6.25843 numMergedOcc 0
39 mol 25 unq 2 iso 1 dist 5.04899 9.71956 12.2542 6.55597 4.69295 9.19736 5.77929 8.87757 11.5214 9.16515 7.45383 7.33728 10.3547 4.98822 6.25843 numMergedOcc 0
40 mol 25 unq 3 iso 0 dist 5.04899 6.55597 4.69295 9.71956 12.2542 9.19736 5.77929 8.87757 9.16515 11.5214 9.01548 13.9331 13.4321 8.84447 8.88938 numMergedOcc 0
41 mol 25 unq 3 iso 1 dist 5.04899 9.71956 12.2542 6.55597 4.69295 9.19736 5.77929 8.87757 11.5214 9.16515 9.01548 13.9331 8.84447 13.4321 8.88938 numMergedOcc 0
42 mol 25 unq 4 iso 0 dist 5.04899 6.55597 4.69295 7.07751 8.79309 5.78812 5.77929 8.87757 9.16515 9.82987 7.45383 7.33728 4.98822 7.91914 6.25843 numMergedOcc 0
43 mol 25 unq 4 iso 1 dist 5.04899 7.07751 8.79309 6.55597 4.69295 5.78812 5.77929 8.87757 9.82987 9.16515 7.45383 7.33728 7.91914 4.98822 6.25843 numMergedOcc 0
44 mol 25 unq 5 iso 0 dist 5.04899 6.55597 4.69295 7.07751 8.79309 5.78812 5.77929 8.87757 9.16515 9.82987 9.01548 13.9331 13.4321 9.66912 8.88938 numMergedOcc 0
45 mol 25 unq 5 iso 1 dist 5.04899 7.07751 8.79309 6.55597 4.69295 5.78812 5.77929 8.87757 9.82987 9.16515 9.01548 13.9331 9.66912 13.4321 8.88938 numMergedOcc 0
46 mol 25 unq 6 iso 0 dist 5.04899 6.55597 4.69295 8.23761 8.17061 7.36721 5.77929 8.87757 9.16515 13.3492 7.45383 7.33728 4.98822 11.7069 6.25843 numMergedOcc 0
47 mol 25 unq 6 iso 1 dist 5.04899 8.23761 8.17061 6.55597 4.69295 7.36721 5.77929 8.87757 13.3492 9.16515 7.45383 7.33728 11.7069 4.98822 6.25843 numMergedOcc 0
48 mol 25 unq 7 iso 0 dist 5.04899 6.55597 4.69295 8.23761 8.17061 7.36721 5.77929 8.87757 9.16515 13.3492 9.01548 13.9331 13.4321 13.1117 8.88938 numMergedOcc 0
49 mol 25 unq 7 iso 1 dist 5.04899 8.23761 8.17061 6.55597 4.69295 7.36721 5.77929 8.87757 13.3492 9.16515 9.01548 13.9331 13.1117 13.4321 8.88938 numMergedOcc 0
50 mol 25 unq 8 iso 0 dist 5.04899 6.55597 4.69295 9.49421 13.6145 12.1732 5.77929 8.87757 9.16515 6.53269 7.45383 7.33728 4.98822 9.62058 6.25843 numMergedOcc 0
51 mol 25 unq 8 iso 1 dist 5.04899 9.49421 13.6145 6.55597 4.69295 12.1732 5.77929 8.87757 6.53269 9.16515 7.45383 7.33728 9.62058 4.98822 6.25843 numMergedOcc 0
52 mol 25 unq 9 iso 0 dist 5.04899 6.55597 4.69295 9.49421 13.6145 12.1732 5.77929 8.87757 9.16515 6.53269 9.01548 13.9331 13.4321 5.38592 8.88938 numMergedOcc 0
53 mol 25 unq 9 iso 1 dist 5.04899 9.49421 13.6145 6.55597 4.69295 12.1732 5.77929 8.87757 6.53269 9.16515 9.01548 13.9331 5.38592 13.4321 8.88938 numMergedOcc 0
54 mol 25 unq 4 iso 0 dist 5.04899 9.71956 12.2542 7.07751 8.79309 3.56099 5.77929 8.87757 11.5214 9.82987 7.45383 7.33728 10.3547 7.91914 6.25843 numMergedOcc 0
55 mol 25 unq 4 iso 1 dist 5.04899 7.07751 8.79309 9.71956 12.2542 3.56099 5.77929 8.87757 9.82987 11.5214 7.45383 7.33728 7.91914 10.3547 6.25843 numMergedOcc 0
56 mol 25 unq 5 iso 0 dist 5.04899 9.71956 12.2542 7.07751 8.79309 3.56099 5.77929 8.87757 11.5214 9.82987 9.01548 13.9331 8.84447 9.66912 8.88938 numMergedOcc 0
57 mol 25 unq 5 iso 1 dist 5.04899 7.07751 8.79309 9.71956 12.2542 3.56099 5.77929 8.87757 9.82987 11.5214 9.01548 13.9331 9.66912 8.84447 8.88938 numMergedOcc 0
58 mol 25 unq 6 iso 0 dist 5.04899 9.71956 12.2542 8.23761 8.17061 8.42944 5.77929 8.87757 11.5214 13.3492 7.45383 7.33728 10.3547 11.7069 6.25843 numMergedOcc 0
59 mol 25 unq 6 iso 1 dist 5.04899 8.23761 8.17061 9.71956 12.2542 8.42944 5.77929 8.87757 13.3492 11.5214 7.45383 7.33728 11.7069 10.3547 6.25843 numMergedOcc 0
60 mol 25 unq 7 iso 0 dist 5.04899 9.71956 12.2542 8.23761 8.17061 8.42944 5.77929 8.87757 11.5214 13.3492 9.01548 13.9331 8.84447 13.1117 8.88938 numMergedOcc 0
61 mol 25 unq 7 iso 1 dist 5.04899 8.23761 8.17061 9.71956 12.2542 8.42944 5.77929 8.87757 13.3492 11.5214 9.01548 13.9331 13.1117 8.84447 8.88938 numMergedOcc 0
62 mol 25 unq 8 iso 0 dist 5.04899 9.71956 12.2542 9.49421 13.6145 8.99147 5.77929 8.87757 11.5214 6.53269 7.45383 7.33728 10.3547 9.62058 6.25843 numMergedOcc 0
63 mol 25 unq 8 iso 1 dist 5.04899 9.49421 13.6145 9.71956 12.2542 8.99147 5.77929 8.87757 6.53269 11.5214 7.45383 7.33728 9.62058 10.3547 6.25843 numMergedOcc 0
64 mol 25 unq 9 iso 0 dist 5.04899 9.71956 12.2542 9.49421 13.6145 8.99147 5.77929 8.87757 11.5214 6.53269 9.01548 13.9331 8.84447 5.38592 8.88938 numMergedOcc 0
65 mol 25 unq 9 iso 1 dist 5.04899 9.49421 13.6145 9.71956 12.2542 8.99147 5.77929 8.87757 6.53269 11.5214 9.01548 13.9331 5.38592 8.84447 8.88938 numMergedOcc 0
66 mol 25 unq 6 iso 0 dist 5.04899 7.07751 8.79309 8.23761 8.17061 5.99526 5.77929 8.87757 9.82987 13.3492 7.45383 7.33728 7.91914 11.7069 6.25843 numMergedOcc 0
67 mol 25 unq 6 iso 1 dist 5.04899 8.23761 8.17061 7.07751 8.79309 5.99526 5.77929 8.87757 13.3492 9.82987 7.45383 7.33728 11.7069 7.91914 6.25843 numMergedOcc 0
68 mol 25 unq 7 iso 0 dist 5.04899 7.07751 8.79309 8.23761 8.17061 5.99526 5.77929 8.87757 9.82987 13.3492 9.01548 13.9331 9.66912 13.1117 8.88938 numMergedOcc 0
69 mol 25 unq 7 iso 1 dist 5.04899 8.23761 8.17061 7.07751 8.79309 5.99526 5.77929 8.87757 13.3492 9.82987 9.01548 13.9331 13.1117 9.66912 8.88938 numMergedOcc 0
70 mol 25 unq 8 iso 0 dist 5.04899 7.07751 8.79309 9.49421 13.6145 9.54872 5.77929 8.87757 9.82987 6.53269 7.45383 7.33728 7.91914 9.62058 6.25843 numMergedOcc 0
71 mol 25 unq 8 iso 1 dist 5.04899 9.49421 13.6145 7.07751 8.79309 9.54872 5.77929 8.87757 6.53269 9.82987 7.45383 7.33728 9.62058 7.91914 6.25843 numMergedOcc 0
72 mol 25 unq 9 iso 0 dist 5.04899 7.07751 8.79309 9.49421 13.6145 9.54872 5.77929 8.87757 9.82987 6.53269 9.01548 13.9331 9.66912 5.38592 8.88938 numMergedOcc 0
73 mol 25 unq 9 iso 1 dist 5.04899 9.49421 13.6145 7.07751 8.79309 9.54872 5.77929 8.87757 6.53269 9.82987 9.01548 13.9331 5.38592 9.66912 8.88938 numMergedOcc 0
74 mol 25 unq 8 iso 0 dist 5.04899 8.23761 8.17061 9.49421 13.6145 14.6175 5.77929 8.87757 13.3492 6.53269 7.45383 7.33728 11.7069 9.62058 6.25843 numMergedOcc 0
75 mol 25 unq 8 iso 1 dist 5.04899 9.49421 13.6145 8.23761 8.17061 14.6175 5.77929 8.87757 6.53269 13.3492 7.45383 7.33728 9.62058 11.7069 6.25843 numMergedOcc 0
76 mol 25 unq 9 iso 0 dist 5.04899 8.23761 8.17061 9.49421 13.6145 14.6175 5.77929 8.87757 13.3492 6.53269 9.01548 13.9331 13.1117 5.38592 8.88938 numMergedOcc 0
77 mol 25 unq 9 iso 1 dist 5.04899 9.49421 13.6145 8.23761 8.17061 14.6175 5.77929 8.87757 6.53269 13.3492 9.01548 13.9331 5.38592 13.1117 8.88938 numMergedOcc 0
78 mol 25 unq 10 iso 0 dist 7.57578 4.79873 10.2864 9.48085 5.18617 12.7147 6.08585 8.50222 9.35791 6.53269 6.16347 9.34396 5.46578 9.62058 6.25843 numMergedOcc 0
79 mol 25 unq 10 iso 1 dist 7.57578 9.48085 5.18617 4.79873 10.2864 12.7147 6.08585 8.50222 6.53269 9.35791 6.16347 9.34396 9.62058 5.46578 6.25843 numMergedOcc 0
80 mol 25 unq 11 iso 0 dist 7.57578 4.79873 10.2864 9.48085 5.18617 12.7147 6.08585 8.50222 9.35791 6.53269 13.8469 10.5328 16.9163 5.38592 8.88938 numMergedOcc 0
81 mol 25 unq 11 iso 1 dist 7.57578 9.48085 5.18617 4.79873 10.2864 12.7147 6.08585 8.50222 6.53269 9.35791 13.8469 10.5328 5.38592 16.9163 8.88938 numMergedOcc 0
82 mol 25 unq 12 iso 0 dist 7.17969 4.79873 11.4148 9.48085 5.68041 12.7147 6.08585 7.55264 9.35791 6.53269 6.16347 10.8498 5.46578 9.62058 6.25843 numMergedOcc 0
83 mol 25 unq 12 iso 1 dist 7.17969 9.48085 5.68041 4.79873 11.4148 12.7147 6.08585 7.55264 6.53269 9.35791 6.16347 10.8498 9.62058 5.46578 6.25843 numMergedOcc 0
84 mol 25 unq 13 iso 0 dist 7.17969 4.79873 11.4148 9.48085 5.68041 12.7147 6.08585 7.55264 9.35791 6.53269 13.8469 10.4337 16.9163 5.38592 8.88938 numMergedOcc 0
85 mol 25 unq 13 iso 1 dist 7.17969 9.48085 5.68041 4.79873 11.4148 12.7147 6.08585 7.55264 6.53269 9.35791 13.8469 10.4337 5.38592 16.9163 8.88938 numMergedOcc 0
86 mol 73 unq 0 iso 0 dist 6.19304 8.68662 6.20232 7.4369 5.70116 3.30399 6.56633 9.24757 8.96616 6.14542 10.2755 6.29906 5.29727 3.85385 8.87464 numMergedOcc 0
87 mol 73 unq 0 iso 1 dist 6.19304 7.4369 5.70116 8.68662 6.20232 3.30399 6.56633 9.24757 6.14542 8.96616 10.2755 6.29906 3.85385 5.29727 8.87464 numMergedOcc 0
88 mol 73 unq 1 iso 0 dist 8.70481 5.5087 11.2069 6.08682 10.6713 5.30471 15.3808 9.24757 14.6027 13.8591 10.8139 6.29906 12.6307 9.42637 8.87464 numMergedOcc 0
89 mol 73 unq 1 iso 1 dist 8.70481 6.08682 10.6713 5.5087 11.2069 5.30471 15.3808 9.24757 13.8591 14.6027 10.8139 6.29906 9.42637 12.6307 8.87464 numMergedOcc 0
90 mol 98 unq 0 iso 0 dist 6.48948 5.92242 3.9764 7.02507 7.03983 9.6331 7.42446 6.65501 4.62494 9.84743 9.42961 7.06961 3.94967 13.4954 6.88901 numMergedOcc 0
91 mol 98 unq 0 iso 1 dist 6.48948 7.02507 7.03983 5.92242 3.9764 9.6331 7.42446 6.65501 9.84743 4.62494 9.42961 7.06961 13.4954 3.94967 6.88901 numMergedOcc 0
92 mol 98 unq 1 iso 0 dist 6.10456 7.54889 10.4782 5.2571 3.9764 6.70343 9.67482 6.65501 8.46823 4.62494 4.47349 7.06961 3.92737 3.94967 6.88901 numMergedOcc 0
93 mol 98 unq 1 iso 1 dist 6.10456 5.2571 3.9764 7.54889 10.4782 6.70343 9.67482 6.65501 4.62494 8.46823 4.47349 7.06961 3.94967 3.92737 6.88901 numMergedOcc 0
94 mol 100 unq 0 iso 0 dist 7.47343 7.82475 5.9143 5.35782 5.47563 3.5565 12.2861 8.30845 13.9449 13.2383 21.075 15.3454 20.2534 20.8003 9.5057 numMergedOcc 0
95 mol 100 unq 0 iso 1 dist 7.47343 5.35782 5.47563 7.82475 5.9143 3.5565 12.2861 8.30845 13.2383 13.9449 21.075 15.3454 20.8003 20.2534 9.5057 numMergedOcc 0
96 mol 134 unq 0 iso 0 dist 6.37586 9.33924 6.95573 7.93372 8.06642 11.4107 5.29786 6.23142 12.2587 9.0176 10.7586 9.87376 15.6686 15.0575 6.40575 numMergedOcc 0
97 mol 134 unq 0 iso 1 dist 6.37586 7.93372 8.06642 9.33924 6.95573 11.4107 5.29786 6.23142 9.0176 12.2587 10.7586 9.87376 15.0575 15.6686 6.40575 numMergedOcc 0
98 mol 134 unq 1 iso 0 dist 9.71307 9.33924 10.2026 7.93372 4.00092 11.4107 5.29786 9.94764 12.2587 9.0176 10.7586 14.9876 15.6686 15.0575 6.40575 numMergedOcc 0
99 mol 134 unq 1 iso 1 dist 9.71307 7.93372 4.00092 9.33924 10.2026 11.4107 5.29786 9.94764 9.0176 12.2587 10.7586 14.9876 15.0575 15.6686 6.40575 numMergedOcc 0
100 mol 181 unq 0 iso 0 dist 7.63312 6.64173 10.6474 9.01624 5.93724 11.196 5.63555 5.9176 8.12266 10.5303 11.9764 6.29863 14.2282 12.017 7.22883 numMergedOcc 0
101 mol 181 unq 0 iso 1 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 5.63555 5.9176 10.5303 8.12266 11.9764 6.29863 12.017 14.2282 7.22883 numMergedOcc 0
102 mol 181 unq 1 iso 0 dist 7.63312 6.64173 10.6474 9.55105 5.12833 10.1041 5.63555 5.9176 8.12266 9.43306 11.9764 6.29863 14.2282 10.273 7.22883 numMergedOcc 0
103 mol 181 unq 1 iso 1 dist 7.63312 9.55105 5.12833 6.64173 10.6474 10.1041 5.63555 5.9176 9.43306 8.12266 11.9764 6.29863 10.273 14.2282 7.22883 numMergedOcc 0
104 mol 181 unq 1 iso 0 dist 7.63312 9.01624 5.93724 9.55105 5.12833 3.55187 5.63555 5.9176 10.5303 9.43306 11.9764 6.29863 12.017 10.273 7.22883 numMergedOcc 0
105 mol 181 unq 1 iso 1 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 5.63555 5.9176 9.43306 10.5303 11.9764 6.29863 10.273 12.017 7.22883 numMergedOcc 0
106 mol 192 unq 0 iso 0 dist 5.59424 9.78634 9.53265 5.64942 6.35474 5.9655 8.49529 8.77999 15.7529 13.3256 12.0486 12.717 16.2567 16.1101 6.60053 numMergedOcc 0
107 mol 192 unq 0 iso 1 dist 5.59424 5.64942 6.35474 9.78634 9.53265 5.9655 8.49529 8.77999 13.3256 15.7529 12.0486 12.717 16.1101 16.2567 6.60053 numMergedOcc 0
108 mol 192 unq 1 iso 0 dist 5.59424 9.78634 9.53265 5.64942 6.35474 5.9655 8.49529 8.77999 15.7529 13.3256 12.708 14.8459 16.5323 16.7452 9.36796 numMergedOcc 0
109 mol 192 unq 1 iso 1 dist 5.59424 5.64942 6.35474 9.78634 9.53265 5.9655 8.49529 8.77999 13.3256 15.7529 12.708 14.8459 16.7452 16.5323 9.36796 numMergedOcc 0
110 mol 192 unq 2 iso 0 dist 5.59424 9.78634 9.53265 7.43054 5.25965 7.70298 8.49529 8.77999 15.7529 13.7172 12.0486 12.717 16.2567 17.2438 6.60053 numMergedOcc 0
111 mol 192 unq 2 iso 1 dist 5.59424 7.43054 5.25965 9.78634 9.53265 7.70298 8.49529 8.77999 13.7172 15.7529 12.0486 12.717 17.2438 16.2567 6.60053 numMergedOcc 0
112 mol 192 unq 3 iso 0 dist 5.59424 9.78634 9.53265 7.43054 5.25965 7.70298 8.49529 8.77999 15.7529 13.7172 12.708 14.8459 16.5323 18.6533 9.36796 numMergedOcc 0
113 mol 192 unq 3 iso 1 dist 5.59424 7.43054 5.25965 9.78634 9.53265 7.70298 8.49529 8.77999 13.7172 15.7529 12.708 14.8459 18.6533 16.5323 9.36796 numMergedOcc 0
114 mol 192 unq 2 iso 0 dist 5.59424 5.64942 6.35474 7.43054 5.25965 3.60331 8.49529 8.77999 13.3256 13.7172 12.0486 12.717 16.1101 17.2438 6.60053 numMergedOcc 0
115 mol 192 unq 2 iso 1 dist 5.59424 7.43054 5.25965 5.64942 6.35474 3.60331 8.49529 8.77999 13.7172 13.3256 12.0486 12.717 17.2438 16.1101 6.60053 numMergedOcc 0
116 mol 192 unq 3 iso 0 dist 5.59424 5.64942 6.35474 7.43054 5.25965 3.60331 8.49529 8.77999 13.3256 13.7172 12.708 14.8459 16.7452 18.6533 9.36796 numMergedOcc 0
117 mol 192 unq 3 iso 1 dist 5.59424 7.43054 5.25965 5.64942 6.35474 3.60331 8.49529 8.77999 13.7172 13.3256 12.708 14.8459 18.6533 16.7452 9.36796 numMergedOcc 0
118 mol 192 unq 4 iso 0 dist 7.00794 6.97962 6.35474 6.79229 5.25965 3.60331 11.7523 8.77999 13.3256 13.7172 16.9245 12.717 16.1101 17.2438 6.60053 numMergedOcc 0
119 mol 192 unq 4 iso 1 dist 7.00794 6.79229 5.25965 6.97962 6.35474 3.60331 11.7523 8.77999 13.7172 13.3256 16.9245 12.717 17.2438 16.1101 6.60053 numMergedOcc 0
120 mol 192 unq 5 iso 0 dist 7.00794 6.97962 6.35474 6.79229 5.25965 3.60331 11.7523 8.77999 13.3256 13.7172 18.1003 14.8459 16.7452 18.6533 9.36796 numMergedOcc 0
121 mol 192 unq 5 iso 1 dist 7.00794 6.79229 5.25965 6.97962 6.35474 3.60331 11.7523 8.77999 13.7172 13.3256 18.1003 14.8459 18.6533 16.7452 9.36796 numMergedOcc 0
