0 mol 24 unq 0 iso 0 dist 8.70827 6.6219 4.04519 5.68215 13.7009 10.512 6.56748 11.9138 9.73647 7.26334 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.70827 5.68215 13.7009 6.6219 4.04519 10.512 6.56748 11.9138 7.26334 9.73647 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.70827 5.68215 13.7009 6.6219 4.04519 10.512 4.50066 11.8282 6.19899 10.1229 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.70827 5.68215 13.7009 6.6219 4.04519 10.512 5.11617 12.8389 6.61696 11.3231 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.73939 6.6219 12.5545 5.68215 4.08755 10.512 6.56748 5.95834 9.73647 7.26334 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.73939 5.68215 4.08755 6.6219 12.5545 10.512 6.56748 5.95834 7.26334 9.73647 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 6.73939 5.68215 4.08755 6.6219 12.5545 10.512 4.50066 4.2121 6.19899 10.1229 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 6.73939 5.68215 4.08755 6.6219 12.5545 10.512 5.11617 6.72323 6.61696 11.3231 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 9.12854 8.87744 9.86385 7.27472 10.4353 3.73215 6.38336 11.4596 4.5711 4.44526 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 9.12854 7.27472 10.4353 8.87744 9.86385 3.73215 6.38336 11.4596 4.44526 4.5711 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 9.12854 7.27472 10.4353 8.87744 9.86385 3.73215 6.7828 11.6684 9.586 12.6707 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 6.16347 9.48085 9.62058 4.79873 5.46578 12.7147 6.08585 6.25843 6.53269 9.35791 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 6.16347 9.48085 9.62058 4.79873 5.46578 12.7147 9.15781 9.86839 9.81524 12.5177 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 7.45383 6.55597 4.98822 7.52933 11.0227 6.53015 5.77929 6.25843 9.16515 12.7995 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 7.45383 6.55597 4.98822 9.71956 10.3547 9.19736 5.77929 6.25843 9.16515 11.5214 numMergedOcc 0
15 mol 25 unq 4 iso 0 dist 7.45383 6.55597 4.98822 7.07751 7.91914 5.78812 5.77929 6.25843 9.16515 9.82987 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 7.45383 6.55597 4.98822 8.23761 11.7069 7.36721 5.77929 6.25843 9.16515 13.3492 numMergedOcc 0
17 mol 25 unq 6 iso 0 dist 7.45383 6.55597 4.98822 9.49421 9.62058 12.1732 5.77929 6.25843 9.16515 6.53269 numMergedOcc 0
18 mol 25 unq 7 iso 0 dist 7.45383 7.07751 7.91914 7.52933 11.0227 8.64476 5.77929 6.25843 9.82987 12.7995 numMergedOcc 0
19 mol 25 unq 8 iso 0 dist 7.45383 7.07751 7.91914 6.55597 4.98822 5.78812 5.77929 6.25843 9.82987 9.16515 numMergedOcc 0
20 mol 25 unq 9 iso 0 dist 7.45383 7.07751 7.91914 9.71956 10.3547 3.56099 5.77929 6.25843 9.82987 11.5214 numMergedOcc 0
21 mol 25 unq 10 iso 0 dist 7.45383 7.07751 7.91914 8.23761 11.7069 5.99526 5.77929 6.25843 9.82987 13.3492 numMergedOcc 0
22 mol 25 unq 11 iso 0 dist 7.45383 7.07751 7.91914 9.49421 9.62058 9.54872 5.77929 6.25843 9.82987 6.53269 numMergedOcc 0
23 mol 25 unq 12 iso 0 dist 7.45383 9.49421 9.62058 7.52933 11.0227 16.0628 5.77929 6.25843 6.53269 12.7995 numMergedOcc 0
24 mol 25 unq 13 iso 0 dist 7.45383 9.49421 9.62058 7.52933 11.0227 16.0628 6.68639 9.86839 9.81524 13.5372 numMergedOcc 0
25 mol 25 unq 14 iso 0 dist 7.45383 9.49421 9.62058 6.55597 4.98822 12.1732 5.77929 6.25843 6.53269 9.16515 numMergedOcc 0
26 mol 25 unq 15 iso 0 dist 7.45383 9.49421 9.62058 6.55597 4.98822 12.1732 6.68639 9.86839 9.81524 11.7789 numMergedOcc 0
27 mol 25 unq 16 iso 0 dist 7.45383 9.49421 9.62058 9.71956 10.3547 8.99147 5.77929 6.25843 6.53269 11.5214 numMergedOcc 0
28 mol 25 unq 17 iso 0 dist 7.45383 9.49421 9.62058 9.71956 10.3547 8.99147 6.68639 9.86839 9.81524 14.8131 numMergedOcc 0
29 mol 25 unq 18 iso 0 dist 7.45383 9.49421 9.62058 7.07751 7.91914 9.54872 5.77929 6.25843 6.53269 9.82987 numMergedOcc 0
30 mol 25 unq 19 iso 0 dist 7.45383 9.49421 9.62058 7.07751 7.91914 9.54872 6.68639 9.86839 9.81524 12.893 numMergedOcc 0
31 mol 25 unq 20 iso 0 dist 7.45383 9.49421 9.62058 8.23761 11.7069 14.6175 5.77929 6.25843 6.53269 13.3492 numMergedOcc 0
32 mol 25 unq 21 iso 0 dist 7.45383 9.49421 9.62058 8.23761 11.7069 14.6175 6.68639 9.86839 9.81524 14.9101 numMergedOcc 0
33 mol 25 unq 22 iso 0 dist 9.01548 6.55597 13.4321 7.52933 15.1255 6.53015 5.77929 8.88938 9.16515 12.7995 numMergedOcc 0
34 mol 25 unq 23 iso 0 dist 9.01548 6.55597 13.4321 9.71956 8.84447 9.19736 5.77929 8.88938 9.16515 11.5214 numMergedOcc 0
35 mol 25 unq 24 iso 0 dist 9.01548 6.55597 13.4321 7.07751 9.66912 5.78812 5.77929 8.88938 9.16515 9.82987 numMergedOcc 0
36 mol 25 unq 25 iso 0 dist 9.01548 6.55597 13.4321 8.23761 13.1117 7.36721 5.77929 8.88938 9.16515 13.3492 numMergedOcc 0
37 mol 25 unq 26 iso 0 dist 9.01548 6.55597 13.4321 9.49421 5.38592 12.1732 5.77929 8.88938 9.16515 6.53269 numMergedOcc 0
38 mol 25 unq 27 iso 0 dist 9.01548 7.07751 9.66912 7.52933 15.1255 8.64476 5.77929 8.88938 9.82987 12.7995 numMergedOcc 0
39 mol 25 unq 28 iso 0 dist 9.01548 7.07751 9.66912 6.55597 13.4321 5.78812 5.77929 8.88938 9.82987 9.16515 numMergedOcc 0
40 mol 25 unq 29 iso 0 dist 9.01548 7.07751 9.66912 9.71956 8.84447 3.56099 5.77929 8.88938 9.82987 11.5214 numMergedOcc 0
41 mol 25 unq 30 iso 0 dist 9.01548 7.07751 9.66912 8.23761 13.1117 5.99526 5.77929 8.88938 9.82987 13.3492 numMergedOcc 0
42 mol 25 unq 31 iso 0 dist 9.01548 7.07751 9.66912 9.49421 5.38592 9.54872 5.77929 8.88938 9.82987 6.53269 numMergedOcc 0
43 mol 25 unq 32 iso 0 dist 9.01548 9.49421 5.38592 7.52933 15.1255 16.0628 5.77929 8.88938 6.53269 12.7995 numMergedOcc 0
44 mol 25 unq 33 iso 0 dist 9.01548 9.49421 5.38592 7.52933 15.1255 16.0628 6.68639 10.4292 9.81524 13.5372 numMergedOcc 0
45 mol 25 unq 34 iso 0 dist 9.01548 9.49421 5.38592 6.55597 13.4321 12.1732 5.77929 8.88938 6.53269 9.16515 numMergedOcc 0
46 mol 25 unq 35 iso 0 dist 9.01548 9.49421 5.38592 6.55597 13.4321 12.1732 6.68639 10.4292 9.81524 11.7789 numMergedOcc 0
47 mol 25 unq 36 iso 0 dist 9.01548 9.49421 5.38592 9.71956 8.84447 8.99147 5.77929 8.88938 6.53269 11.5214 numMergedOcc 0
48 mol 25 unq 37 iso 0 dist 9.01548 9.49421 5.38592 9.71956 8.84447 8.99147 6.68639 10.4292 9.81524 14.8131 numMergedOcc 0
49 mol 25 unq 38 iso 0 dist 9.01548 9.49421 5.38592 7.07751 9.66912 9.54872 5.77929 8.88938 6.53269 9.82987 numMergedOcc 0
50 mol 25 unq 39 iso 0 dist 9.01548 9.49421 5.38592 7.07751 9.66912 9.54872 6.68639 10.4292 9.81524 12.893 numMergedOcc 0
51 mol 25 unq 40 iso 0 dist 9.01548 9.49421 5.38592 8.23761 13.1117 14.6175 5.77929 8.88938 6.53269 13.3492 numMergedOcc 0
52 mol 25 unq 41 iso 0 dist 9.01548 9.49421 5.38592 8.23761 13.1117 14.6175 6.68639 10.4292 9.81524 14.9101 numMergedOcc 0
53 mol 25 unq 42 iso 0 dist 7.92503 9.48085 10.2758 4.79873 11.0175 12.7147 6.08585 11.4912 6.53269 9.35791 numMergedOcc 0
54 mol 25 unq 43 iso 0 dist 7.92503 9.48085 10.2758 4.79873 11.0175 12.7147 9.15781 14.4754 9.81524 12.5177 numMergedOcc 0
55 mol 58 unq 0 iso 0 dist 7.68678 8.96727 5.66912 8.01308 5.76523 6.20884 5.49591 10.2007 9.01564 7.11065 numMergedOcc 0
56 mol 58 unq 1 iso 0 dist 7.68678 8.01308 5.76523 8.96727 5.66912 6.20884 5.49591 10.2007 7.11065 9.01564 numMergedOcc 0
57 mol 98 unq 0 iso 0 dist 4.47349 7.54889 3.92737 5.2571 3.94967 6.70343 9.67482 6.88901 8.46823 4.62494 numMergedOcc 0
58 mol 98 unq 1 iso 0 dist 4.47349 7.54889 3.92737 5.2571 3.94967 6.70343 9.85543 7.36769 9.25444 9.84703 numMergedOcc 0
59 mol 98 unq 2 iso 0 dist 4.47349 5.2571 3.94967 7.54889 3.92737 6.70343 9.85543 7.36769 9.84703 9.25444 numMergedOcc 0
60 mol 98 unq 3 iso 0 dist 4.47349 5.2571 3.94967 7.54889 3.92737 6.70343 9.67482 6.88901 4.62494 8.46823 numMergedOcc 0
61 mol 98 unq 4 iso 0 dist 5.65185 7.78931 3.92737 8.7497 3.94967 6.70343 12.0974 6.88901 8.46823 4.62494 numMergedOcc 0
62 mol 98 unq 5 iso 0 dist 5.65185 7.78931 3.92737 8.7497 3.94967 6.70343 7.28361 7.36769 9.25444 9.84703 numMergedOcc 0
63 mol 98 unq 6 iso 0 dist 5.65185 8.7497 3.94967 7.78931 3.92737 6.70343 7.28361 7.36769 9.84703 9.25444 numMergedOcc 0
64 mol 98 unq 7 iso 0 dist 5.65185 8.7497 3.94967 7.78931 3.92737 6.70343 12.0974 6.88901 4.62494 8.46823 numMergedOcc 0
65 mol 100 unq 0 iso 0 dist 7.80975 9.90751 15.0328 9.21662 12.48 6.25463 6.12107 12.71 7.81446 6.55173 numMergedOcc 0
66 mol 100 unq 1 iso 0 dist 7.80975 9.21662 12.48 9.90751 15.0328 6.25463 6.12107 12.71 6.55173 7.81446 numMergedOcc 0
67 mol 100 unq 2 iso 0 dist 7.80975 9.21662 12.48 9.90751 15.0328 6.25463 5.42531 9.5057 6.59691 10.3057 numMergedOcc 0
68 mol 167 unq 0 iso 0 dist 9.67741 7.02548 5.95858 7.20495 5.43662 6.81449 7.08726 12.5323 8.86449 12.89 numMergedOcc 0
69 mol 167 unq 1 iso 0 dist 9.67741 7.02548 5.95858 9.2289 8.91275 3.55199 7.08726 12.5323 8.86449 10.4753 numMergedOcc 0
70 mol 181 unq 0 iso 0 dist 5.94469 6.64173 4.98436 9.01624 11.9796 11.196 5.63555 10.3104 8.12266 10.5303 numMergedOcc 0
71 mol 181 unq 1 iso 0 dist 5.94469 6.64173 4.98436 9.55105 12.3589 10.1041 5.63555 10.3104 8.12266 9.43306 numMergedOcc 0
72 mol 181 unq 2 iso 0 dist 5.94469 9.01624 11.9796 6.64173 4.98436 11.196 7.20191 11.8933 5.99437 12.6232 numMergedOcc 0
73 mol 181 unq 3 iso 0 dist 5.94469 9.01624 11.9796 9.55105 12.3589 3.55187 7.20191 11.8933 5.99437 8.4848 numMergedOcc 0
74 mol 181 unq 4 iso 0 dist 5.94469 9.55105 12.3589 6.64173 4.98436 10.1041 5.63555 10.3104 9.43306 8.12266 numMergedOcc 0
75 mol 181 unq 5 iso 0 dist 5.94469 9.55105 12.3589 6.64173 4.98436 10.1041 7.20191 11.8933 8.4848 12.6232 numMergedOcc 0
76 mol 181 unq 6 iso 0 dist 5.94469 9.55105 12.3589 9.01624 11.9796 3.55187 5.63555 10.3104 9.43306 10.5303 numMergedOcc 0
77 mol 181 unq 7 iso 0 dist 5.94469 9.55105 12.3589 9.01624 11.9796 3.55187 7.20191 11.8933 8.4848 5.99437 numMergedOcc 0
78 mol 184 unq 0 iso 0 dist 6.42735 5.96423 4.67256 8.97589 3.7949 5.33725 8.08596 7.54099 7.58375 10.6375 numMergedOcc 0
79 mol 235 unq 0 iso 0 dist 8.69356 8.19317 10.0135 6.29377 5.2878 4.8835 6.82855 14.3946 8.97952 10.1845 numMergedOcc 0
80 mol 292 unq 0 iso 0 dist 7.07965 7.20674 13.8094 8.38121 13.8468 9.14614 8.83082 14.792 8.62162 10.8369 numMergedOcc 0
