0 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 10.1154 6.03257 6.23015 11.3543 9.75966 6.91314 5.89412 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.42748 8.85174 5.20798 10.1154 6.03257 6.23015 10.6338 4.39605 5.49251 7.07399 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 15.5324 12.176 13.6174 8.4051 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 6.86014 6.66749 5.69214 7.29868 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.41441 7.95042 10.0453 8.52463 6.72323 5.80953 8.86116 14.012 5.11636 8.60554 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.70827 5.68215 13.7009 4.50066 11.8282 6.19899 11.0194 19.5098 8.91183 9.01567 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.70827 5.68215 13.7009 5.11617 12.8389 6.61696 5.54419 5.59311 10.1698 8.4051 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.70827 5.68215 13.7009 5.11617 12.8389 6.61696 11.0194 19.5098 8.91183 7.29868 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.70827 5.68215 13.7009 5.11617 12.8389 6.61696 13.2433 18.8774 14.8647 8.60554 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.73939 5.68215 4.08755 4.50066 4.2121 6.19899 11.0194 6.66749 8.91183 9.01567 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 5.54419 12.176 10.1698 8.4051 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 11.0194 6.66749 8.91183 7.29868 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 6.73939 5.68215 4.08755 5.11617 6.72323 6.61696 13.2433 14.012 14.8647 8.60554 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 9.12854 8.87744 9.86385 6.38336 11.4596 4.5711 7.36323 5.59311 6.28159 8.23446 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 9.12854 7.27472 10.4353 6.38336 11.4596 4.44526 7.36323 5.59311 5.50396 8.23446 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 9.12854 7.27472 10.4353 6.7828 11.6684 9.586 7.36323 5.59311 5.50396 8.75662 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 9.12854 7.27472 10.4353 6.7828 11.6684 9.586 15.5296 18.8774 14.4081 9.44691 numMergedOcc 0
17 mol 25 unq 0 iso 0 dist 8.87757 7.05196 3.904 7.33728 6.25843 5.20109 11.9561 6.08585 5.63212 6.16347 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 8.87757 7.05196 3.904 7.33728 6.25843 5.20109 5.04899 5.77929 6.47509 7.45383 numMergedOcc 0
19 mol 25 unq 2 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 11.9561 7.33728 13.6145 8.87757 numMergedOcc 0
20 mol 25 unq 3 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 7.57578 9.34396 5.18617 8.50222 numMergedOcc 0
21 mol 25 unq 4 iso 0 dist 6.16347 9.48085 9.62058 6.08585 6.25843 6.53269 7.17969 10.8498 5.68041 7.55264 numMergedOcc 0
22 mol 25 unq 5 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 5.04899 7.33728 4.69295 8.87757 numMergedOcc 0
23 mol 25 unq 6 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 12.7009 9.34396 13.2447 8.50222 numMergedOcc 0
24 mol 25 unq 7 iso 0 dist 7.45383 6.55597 4.98822 5.77929 6.25843 9.16515 12.8117 10.8498 14.9982 7.55264 numMergedOcc 0
25 mol 25 unq 8 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 5.04899 7.33728 8.79309 8.87757 numMergedOcc 0
26 mol 25 unq 9 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 12.7009 9.34396 11.8139 8.50222 numMergedOcc 0
27 mol 25 unq 10 iso 0 dist 7.45383 7.07751 7.91914 5.77929 6.25843 9.82987 12.8117 10.8498 14.1251 7.55264 numMergedOcc 0
28 mol 25 unq 11 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 5.04899 7.33728 13.6145 8.87757 numMergedOcc 0
29 mol 25 unq 12 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 12.7009 9.34396 5.18617 8.50222 numMergedOcc 0
30 mol 25 unq 13 iso 0 dist 7.45383 9.49421 9.62058 5.77929 6.25843 6.53269 12.8117 10.8498 5.68041 7.55264 numMergedOcc 0
31 mol 25 unq 14 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 5.04899 13.9331 4.69295 8.87757 numMergedOcc 0
32 mol 25 unq 15 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 12.7009 10.5328 13.2447 8.50222 numMergedOcc 0
33 mol 25 unq 16 iso 0 dist 9.01548 6.55597 13.4321 5.77929 8.88938 9.16515 12.8117 10.4337 14.9982 7.55264 numMergedOcc 0
34 mol 25 unq 17 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 5.04899 13.9331 8.79309 8.87757 numMergedOcc 0
35 mol 25 unq 18 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 12.7009 10.5328 11.8139 8.50222 numMergedOcc 0
36 mol 25 unq 19 iso 0 dist 9.01548 7.07751 9.66912 5.77929 8.88938 9.82987 12.8117 10.4337 14.1251 7.55264 numMergedOcc 0
37 mol 25 unq 20 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 5.04899 13.9331 13.6145 8.87757 numMergedOcc 0
38 mol 25 unq 21 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 12.7009 10.5328 5.18617 8.50222 numMergedOcc 0
39 mol 25 unq 22 iso 0 dist 9.01548 9.49421 5.38592 5.77929 8.88938 6.53269 12.8117 10.4337 5.68041 7.55264 numMergedOcc 0
40 mol 25 unq 23 iso 0 dist 8.6653 7.6114 10.8122 5.68392 12.0452 6.29797 6.03987 5.82503 5.86705 6.85556 numMergedOcc 0
41 mol 25 unq 24 iso 0 dist 7.92503 9.48085 10.2758 6.08585 11.4912 6.53269 11.9561 19.1927 13.6145 8.87757 numMergedOcc 0
42 mol 25 unq 25 iso 0 dist 7.92503 9.48085 10.2758 6.08585 11.4912 6.53269 7.57578 6.11127 5.18617 8.50222 numMergedOcc 0
43 mol 25 unq 26 iso 0 dist 7.92503 9.48085 10.2758 6.08585 11.4912 6.53269 7.17969 5.30154 5.68041 7.55264 numMergedOcc 0
44 mol 58 unq 0 iso 0 dist 5.93884 9.22598 5.66912 9.95364 10.2007 9.01564 6.62496 5.78774 9.87158 8.80614 numMergedOcc 0
45 mol 58 unq 1 iso 0 dist 7.68678 8.96727 5.66912 5.49591 10.2007 9.01564 6.35756 5.78774 9.87158 8.80614 numMergedOcc 0
46 mol 58 unq 2 iso 0 dist 7.68678 8.01308 5.76523 5.49591 10.2007 7.11065 6.35756 5.78774 5.86526 8.80614 numMergedOcc 0
47 mol 92 unq 0 iso 0 dist 5.37007 7.13008 6.26082 10.9681 12.7158 8.93769 13.2315 12.6509 6.95017 7.52354 numMergedOcc 0
48 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 4.4057 6.88901 4.62494 5.08437 7.06961 3.9764 6.65501 numMergedOcc 0
49 mol 98 unq 1 iso 0 dist 7.23884 9.64383 12.82 16.4267 20.7069 8.46823 17.4071 22.6249 10.4782 6.65501 numMergedOcc 0
50 mol 98 unq 2 iso 0 dist 4.47349 7.54889 3.92737 9.67482 6.88901 8.46823 6.10456 7.06961 10.4782 6.65501 numMergedOcc 0
51 mol 98 unq 3 iso 0 dist 4.47349 5.2571 3.94967 9.67482 6.88901 4.62494 6.10456 7.06961 3.9764 6.65501 numMergedOcc 0
52 mol 98 unq 4 iso 0 dist 5.65185 7.78931 3.92737 12.0974 6.88901 8.46823 10.1136 7.06961 10.4782 6.65501 numMergedOcc 0
53 mol 98 unq 5 iso 0 dist 5.65185 8.7497 3.94967 12.0974 6.88901 4.62494 10.1136 7.06961 3.9764 6.65501 numMergedOcc 0
54 mol 100 unq 0 iso 0 dist 7.80975 9.21662 12.48 5.42531 9.5057 6.59691 10.1489 10.6848 4.03277 7.01812 numMergedOcc 0
55 mol 100 unq 1 iso 0 dist 7.80975 9.21662 12.48 5.42531 9.5057 6.59691 13.2001 15.3454 6.23008 8.30845 numMergedOcc 0
56 mol 119 unq 0 iso 0 dist 9.11344 6.99446 5.37917 10.8661 12.0976 8.67537 10.1813 6.42402 4.39676 6.73586 numMergedOcc 0
57 mol 119 unq 1 iso 0 dist 6.52773 7.64052 5.37917 12.0175 12.0976 8.67537 9.72413 6.42402 4.39676 6.73586 numMergedOcc 0
58 mol 119 unq 2 iso 0 dist 8.00003 8.95212 12.3661 5.13589 13.0074 8.67537 6.18601 10.4376 4.39676 6.73586 numMergedOcc 0
59 mol 119 unq 3 iso 0 dist 9.23858 7.64052 15.7711 12.0175 21.1416 8.67537 9.72413 17.9302 4.39676 6.73586 numMergedOcc 0
60 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 4.43096 7.32087 7.35884 8.03334 7.81713 6.50233 6.46704 numMergedOcc 0
61 mol 181 unq 1 iso 0 dist 6.22122 8.59874 6.39406 6.06566 7.32087 7.35884 10.9639 7.81713 6.50233 6.46704 numMergedOcc 0
62 mol 181 unq 2 iso 0 dist 5.94469 6.64173 4.98436 5.63555 10.3104 8.12266 7.63312 12.5387 10.6474 5.9176 numMergedOcc 0
63 mol 181 unq 3 iso 0 dist 5.94469 9.01624 11.9796 7.20191 11.8933 5.99437 7.81386 7.77758 5.71898 9.39829 numMergedOcc 0
64 mol 181 unq 4 iso 0 dist 5.94469 9.01624 11.9796 7.20191 11.8933 5.99437 7.63312 12.5387 5.93724 6.41453 numMergedOcc 0
65 mol 181 unq 5 iso 0 dist 5.94469 9.55105 12.3589 5.63555 10.3104 9.43306 7.63312 12.5387 5.12833 5.9176 numMergedOcc 0
66 mol 181 unq 6 iso 0 dist 5.94469 9.55105 12.3589 7.20191 11.8933 8.4848 7.81386 7.77758 5.83796 9.39829 numMergedOcc 0
67 mol 181 unq 7 iso 0 dist 5.94469 9.55105 12.3589 7.20191 11.8933 8.4848 7.63312 12.5387 5.12833 6.41453 numMergedOcc 0
68 mol 204 unq 0 iso 0 dist 9.68728 7.9133 14.0756 5.86489 10.2072 9.48625 8.51516 10.8573 5.57347 7.32294 numMergedOcc 0
69 mol 232 unq 0 iso 0 dist 9.05071 6.71524 11.2243 4.9377 9.8664 9.9183 10.5803 12.3508 9.74344 8.50102 numMergedOcc 0
70 mol 232 unq 1 iso 0 dist 9.05071 6.71524 11.2243 4.9377 9.8664 9.9183 8.27212 8.80479 5.10213 9.40808 numMergedOcc 0
71 mol 273 unq 0 iso 0 dist 8.49177 9.59325 3.78984 4.60101 7.16346 6.35532 13.3579 12.0136 8.56043 8.83865 numMergedOcc 0
72 mol 273 unq 1 iso 0 dist 8.49177 9.59325 3.78984 4.60101 7.16346 6.35532 13.4294 12.1851 8.81454 9.18157 numMergedOcc 0
