0 mol 19 unq 0 iso 0 dist 4.51865 8.40416 7.08342 4.44441 7.7312 12.7679 10.4416 12.2354 8.54034 13.2747 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 6.864 7.75618 7.08342 10.0411 7.7312 12.7679 8.7083 12.2354 8.54034 13.2747 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 8.66248 7.49157 11.4816 9.88364 10.2862 9.85784 6.82481 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 8.66248 7.49157 11.4816 9.78753 11.825 9.87996 9.86285 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 6.73521 7.73794 12.7944 9.88364 10.2862 9.85784 9.50858 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.86014 9.41441 6.66749 6.73521 7.73794 12.7944 9.78753 11.825 9.87996 11.5456 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 8.4051 5.11617 6.7846 8.23075 7.85986 10.1698 5.68215 6.61696 9.24731 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 8.4051 5.11617 6.7846 8.23075 7.85986 13.6174 10.9113 5.80953 11.1587 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 5.54419 8.4051 5.11617 8.03955 4.7841 4.30252 10.1698 5.68215 6.61696 3.53396 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 5.54419 8.4051 5.11617 8.03955 4.7841 4.30252 13.6174 10.9113 5.80953 8.72577 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 5.54419 8.23446 13.1779 6.7846 8.23075 7.8619 5.73029 9.16003 9.33304 9.82019 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 5.54419 8.23446 13.1779 6.7846 8.23075 7.8619 6.28159 10.4135 4.5711 5.75365 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 5.54419 8.23446 13.1779 6.7846 8.23075 7.8619 5.50396 9.33482 4.44526 3.67206 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 5.54419 8.23446 13.1779 8.03955 4.7841 13.3176 5.73029 9.16003 9.33304 11.3255 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 5.54419 8.23446 13.1779 8.03955 4.7841 13.3176 6.28159 10.4135 4.5711 10.3499 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 5.54419 8.23446 13.1779 8.03955 4.7841 13.3176 5.50396 9.33482 4.44526 8.93303 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 5.54419 8.75662 10.8238 6.7846 8.23075 11.0098 5.50396 9.33482 9.586 3.67206 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 5.54419 8.75662 10.8238 8.03955 4.7841 12.496 5.50396 9.33482 9.586 8.93303 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 6.03987 6.85556 5.68392 9.92243 7.03372 11.386 5.86705 7.6114 6.29797 9.34154 numMergedOcc 0
19 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 4.59417 9.23438 6.41008 11.3019 15.888 7.58739 8.98585 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 6.86465 8.80614 10.2049 4.59417 9.23438 6.41008 9.87158 13.3281 9.01564 10.5853 numMergedOcc 0
21 mol 58 unq 2 iso 0 dist 6.86465 8.80614 10.2049 4.59417 9.23438 6.41008 5.86526 11.5155 7.11065 5.11422 numMergedOcc 0
22 mol 58 unq 3 iso 0 dist 6.35756 8.80614 5.49591 4.59417 7.17488 6.41008 11.3019 11.2189 7.58739 8.98585 numMergedOcc 0
23 mol 58 unq 4 iso 0 dist 6.35756 8.80614 5.49591 4.59417 7.17488 6.41008 9.87158 8.96727 9.01564 10.5853 numMergedOcc 0
24 mol 58 unq 5 iso 0 dist 6.35756 8.80614 5.49591 4.59417 7.17488 6.41008 5.86526 8.01308 7.11065 5.11422 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 8.70481 9.24757 15.3808 15.1432 7.37171 22.417 6.20232 13.8931 8.96616 20.5567 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 8.70481 9.24757 15.3808 15.1432 7.37171 22.417 5.70116 12.8207 6.14542 19.9387 numMergedOcc 0
27 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 13.0914 9.59585 9.34113 13.9729 15.7535 9.30645 12.9758 numMergedOcc 0
28 mol 113 unq 1 iso 0 dist 5.86073 8.8822 10.1816 12.5818 9.7073 14.2952 13.9729 15.7535 9.30645 13.9052 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 6.75249 8.64905 13.6073 4.78563 5.37047 5.06564 10.4448 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 6.75249 8.64905 12.9862 4.78563 5.37047 7.5373 10.4448 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 6.13927 8.29467 13.0634 5.71898 9.01624 5.99437 11.4645 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 6.13927 8.29467 13.0634 5.83796 9.55105 8.4848 11.5807 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 7.63312 5.9176 5.63555 13.2274 8.29467 12.0951 10.6474 6.64173 8.12266 5.09584 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 13.2274 8.29467 12.0951 5.12833 9.55105 9.43306 11.5807 numMergedOcc 0
35 mol 181 unq 4 iso 0 dist 7.63312 5.9176 5.63555 13.2274 8.29467 12.0951 4.61184 11.7785 8.59681 16.1324 numMergedOcc 0
36 mol 181 unq 5 iso 0 dist 7.63312 6.41453 7.20191 13.2274 8.29467 13.0634 5.93724 9.01624 5.99437 11.4645 numMergedOcc 0
37 mol 181 unq 6 iso 0 dist 7.63312 6.41453 7.20191 13.2274 8.29467 13.0634 5.12833 9.55105 8.4848 11.5807 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 4.04428 8.25985 9.78273 5.10213 6.71524 9.9183 3.43286 numMergedOcc 0
39 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 4.22149 9.27788 11.9664 5.10213 6.71524 9.9183 5.45761 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 4.24652 9.83622 9.2199 16.9539 12.8334 8.60027 16.9722 numMergedOcc 0
