0 mol 7 unq 0 iso 0 dist 9.68596 9.87885 10.1841 5.03847 6.14469 11.2901 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.72114 9.67164 5.5683 6.34041 6.14469 10.3333 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.32257 8.30653 10.6575 8.50424 7.35972 12.1193 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 10.1154 6.03257 6.23015 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 4.32034 8.00171 10.8435 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 9.41441 7.95042 10.0453 12.2662 5.95834 14.7426 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 9.41441 7.95042 10.0453 8.67951 4.2121 10.8068 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.73939 6.6219 12.5545 6.56748 5.95834 9.73647 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 6.73939 6.6219 12.5545 4.50066 4.2121 10.1229 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 6.73939 6.6219 12.5545 11.9112 8.00171 17.8878 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 6.73939 6.6219 12.5545 5.11617 6.72323 11.3231 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 6.73939 5.68215 4.08755 6.56748 5.95834 7.26334 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 6.73939 5.68215 4.08755 4.50066 4.2121 6.19899 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 6.73939 5.68215 4.08755 11.9112 8.00171 11.9029 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 8.60554 8.09311 15.4445 14.012 6.72323 19.932 numMergedOcc 0
17 mol 24 unq 13 iso 0 dist 8.60554 9.05357 11.8971 14.012 6.72323 17.7407 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 7.33728 6.25843 5.20109 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 8.87757 7.05196 3.904 13.9331 8.88938 12.506 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 6.16347 4.79873 5.46578 6.08585 6.25843 9.35791 numMergedOcc 0
21 mol 25 unq 3 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 numMergedOcc 0
22 mol 25 unq 4 iso 0 dist 7.45383 7.52933 11.0227 5.77929 6.25843 12.7995 numMergedOcc 0
23 mol 25 unq 5 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 numMergedOcc 0
24 mol 25 unq 6 iso 0 dist 7.45383 9.71956 10.3547 5.77929 6.25843 11.5214 numMergedOcc 0
25 mol 25 unq 7 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 numMergedOcc 0
26 mol 25 unq 8 iso 0 dist 7.45383 8.23761 11.7069 5.77929 6.25843 13.3492 numMergedOcc 0
27 mol 25 unq 9 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 numMergedOcc 0
28 mol 25 unq 10 iso 0 dist 9.01548 7.52933 15.1255 5.77929 8.88938 12.7995 numMergedOcc 0
29 mol 25 unq 11 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 numMergedOcc 0
30 mol 25 unq 12 iso 0 dist 9.01548 9.71956 8.84447 5.77929 8.88938 11.5214 numMergedOcc 0
31 mol 25 unq 13 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 numMergedOcc 0
32 mol 25 unq 14 iso 0 dist 9.01548 8.23761 13.1117 5.77929 8.88938 13.3492 numMergedOcc 0
33 mol 25 unq 15 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 numMergedOcc 0
34 mol 32 unq 0 iso 0 dist 7.99969 7.26268 6.30042 10.8897 8.5315 13.9483 numMergedOcc 0
35 mol 60 unq 0 iso 0 dist 9.90939 8.4312 5.85676 5.94827 8.97364 6.63448 numMergedOcc 0
36 mol 92 unq 0 iso 0 dist 7.52354 9.33861 4.52323 14.3301 9.91054 12.2123 numMergedOcc 0
37 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 7.94178 7.36769 9.84703 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 4.4057 6.88901 4.62494 numMergedOcc 0
39 mol 98 unq 2 iso 0 dist 7.23884 9.64383 12.82 14.2646 7.14031 18.1643 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 4.47349 7.54889 3.92737 9.85543 7.36769 9.25444 numMergedOcc 0
41 mol 98 unq 4 iso 0 dist 4.47349 7.54889 3.92737 9.67482 6.88901 8.46823 numMergedOcc 0
42 mol 98 unq 5 iso 0 dist 4.47349 5.2571 3.94967 9.85543 7.36769 9.84703 numMergedOcc 0
43 mol 98 unq 6 iso 0 dist 4.47349 5.2571 3.94967 9.67482 6.88901 4.62494 numMergedOcc 0
44 mol 98 unq 7 iso 0 dist 5.65185 7.78931 3.92737 7.28361 7.36769 9.25444 numMergedOcc 0
45 mol 98 unq 8 iso 0 dist 5.65185 7.78931 3.92737 12.0974 6.88901 8.46823 numMergedOcc 0
46 mol 98 unq 9 iso 0 dist 5.65185 8.7497 3.94967 7.28361 7.36769 9.84703 numMergedOcc 0
47 mol 98 unq 10 iso 0 dist 5.65185 8.7497 3.94967 12.0974 6.88901 4.62494 numMergedOcc 0
48 mol 100 unq 0 iso 0 dist 7.80975 9.90751 15.0328 5.42531 9.5057 10.3057 numMergedOcc 0
49 mol 100 unq 1 iso 0 dist 7.80975 9.90751 15.0328 4.86592 5.75014 13.9158 numMergedOcc 0
50 mol 100 unq 2 iso 0 dist 7.80975 9.21662 12.48 5.42531 9.5057 6.59691 numMergedOcc 0
51 mol 100 unq 3 iso 0 dist 7.80975 9.21662 12.48 4.86592 5.75014 11.1692 numMergedOcc 0
52 mol 113 unq 0 iso 0 dist 8.8822 8.80934 7.1951 7.27193 6.6317 11.5006 numMergedOcc 0
53 mol 129 unq 0 iso 0 dist 9.36851 5.58833 9.30433 4.55551 9.73158 9.8591 numMergedOcc 0
54 mol 129 unq 1 iso 0 dist 4.97175 5.58833 4.28744 4.55551 7.59327 9.8591 numMergedOcc 0
55 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 9.87376 6.40575 10.1824 numMergedOcc 0
56 mol 134 unq 1 iso 0 dist 9.94764 9.1998 11.5269 14.9876 6.40575 13.3808 numMergedOcc 0
57 mol 134 unq 2 iso 0 dist 9.94764 8.69531 6.93712 14.9876 6.40575 10.1824 numMergedOcc 0
58 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 4.43096 7.32087 7.35884 numMergedOcc 0
59 mol 181 unq 1 iso 0 dist 6.2479 9.76212 6.39406 8.04639 8.86197 11.6588 numMergedOcc 0
60 mol 181 unq 2 iso 0 dist 6.22122 8.59874 6.39406 6.06566 7.32087 7.35884 numMergedOcc 0
61 mol 181 unq 3 iso 0 dist 6.22122 8.59874 6.39406 13.0409 8.86197 11.6588 numMergedOcc 0
62 mol 181 unq 4 iso 0 dist 5.94469 6.64173 4.98436 9.69409 9.92471 14.2797 numMergedOcc 0
63 mol 181 unq 5 iso 0 dist 5.94469 9.01624 11.9796 9.69409 9.92471 15.0909 numMergedOcc 0
64 mol 181 unq 6 iso 0 dist 5.94469 9.55105 12.3589 9.69409 9.92471 17.3467 numMergedOcc 0
65 mol 184 unq 0 iso 0 dist 6.42735 8.97589 3.7949 8.08596 7.54099 10.6375 numMergedOcc 0
66 mol 184 unq 1 iso 0 dist 6.42735 5.96423 4.67256 8.08596 7.54099 7.58375 numMergedOcc 0
67 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 4.9377 9.8664 9.9183 numMergedOcc 0
68 mol 273 unq 0 iso 0 dist 8.49177 9.59325 3.78984 4.60101 7.16346 6.35532 numMergedOcc 0
69 mol 284 unq 0 iso 0 dist 6.78191 5.83329 8.8835 4.50325 7.34931 10.2645 numMergedOcc 0
