0 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 10.1154 6.03257 6.23015 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.73939 6.6219 12.5545 6.56748 5.95834 9.73647 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.73939 5.68215 4.08755 6.56748 5.95834 7.26334 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.73939 5.68215 4.08755 4.50066 4.2121 6.19899 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 7.33728 6.25843 5.20109 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 numMergedOcc 0
11 mol 25 unq 5 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 numMergedOcc 0
12 mol 25 unq 6 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 numMergedOcc 0
13 mol 25 unq 7 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 9.90939 8.4312 5.85676 5.94827 8.97364 6.63448 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 7.94178 7.36769 9.84703 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 4.4057 6.88901 4.62494 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 4.47349 7.54889 3.92737 9.85543 7.36769 9.25444 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 4.47349 7.54889 3.92737 9.67482 6.88901 8.46823 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 4.47349 5.2571 3.94967 9.85543 7.36769 9.84703 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 4.47349 5.2571 3.94967 9.67482 6.88901 4.62494 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 5.65185 7.78931 3.92737 7.28361 7.36769 9.25444 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 5.65185 7.78931 3.92737 12.0974 6.88901 8.46823 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 5.65185 8.7497 3.94967 7.28361 7.36769 9.84703 numMergedOcc 0
24 mol 98 unq 9 iso 0 dist 5.65185 8.7497 3.94967 12.0974 6.88901 4.62494 numMergedOcc 0
25 mol 100 unq 0 iso 0 dist 7.80975 9.21662 12.48 5.42531 9.5057 6.59691 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 4.43096 7.32087 7.35884 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 6.22122 8.59874 6.39406 6.06566 7.32087 7.35884 numMergedOcc 0
28 mol 184 unq 0 iso 0 dist 6.42735 5.96423 4.67256 8.08596 7.54099 7.58375 numMergedOcc 0
29 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 4.9377 9.8664 9.9183 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 8.49177 9.59325 3.78984 4.60101 7.16346 6.35532 numMergedOcc 0
