0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 5.99459 6.88805 6.12483 14.7759 9.68596 14.5216 10.3333 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 9.87885 12.8323 10.1841 12.0193 5.99972 14.5216 14.8356 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 4.32034 7.33768 8.00171 10.8435 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 8.67951 9.01567 4.2121 10.8068 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 8.52463 7.29868 6.72323 5.80953 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 8.60554 8.52463 8.09311 11.6226 15.4445 14.012 9.41441 6.72323 19.932 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.86116 8.60554 8.52463 9.05357 13.1949 11.8971 14.012 9.41441 6.72323 17.7407 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.86116 8.44664 10.971 8.09311 11.6226 3.84336 14.012 9.41441 18.7793 19.932 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 8.86116 8.44664 10.971 9.05357 13.1949 7.01276 14.012 9.41441 18.7793 17.7407 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 8.86116 9.44691 13.4893 8.09311 11.6226 13.0295 14.012 9.41441 15.7523 19.932 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 8.86116 9.44691 13.4893 9.05357 13.1949 4.02219 14.012 9.41441 15.7523 17.7407 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 8.52463 8.60554 6.72323 5.80953 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 10.971 8.44664 18.7793 12.8213 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 13.4893 9.44691 15.7523 11.7489 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 5.11617 8.4051 12.8389 11.3231 numMergedOcc 0
15 mol 24 unq 13 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 13.1779 8.23446 11.4596 11.3777 numMergedOcc 0
16 mol 24 unq 14 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 10.8238 8.75662 11.6684 13.0711 numMergedOcc 0
17 mol 24 unq 15 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 5.11617 8.4051 12.8389 6.61696 numMergedOcc 0
18 mol 24 unq 16 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 13.1779 8.23446 11.4596 16.1924 numMergedOcc 0
19 mol 24 unq 17 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 10.8238 8.75662 11.6684 15.3807 numMergedOcc 0
20 mol 24 unq 18 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 5.11617 8.4051 6.72323 11.3231 numMergedOcc 0
21 mol 24 unq 19 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 13.1779 8.23446 19.0465 11.3777 numMergedOcc 0
22 mol 24 unq 20 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 10.8238 8.75662 15.7523 13.0711 numMergedOcc 0
23 mol 24 unq 21 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 5.11617 8.4051 6.72323 6.61696 numMergedOcc 0
24 mol 24 unq 22 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 13.1779 8.23446 19.0465 16.1924 numMergedOcc 0
25 mol 24 unq 23 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 10.8238 8.75662 15.7523 15.3807 numMergedOcc 0
26 mol 24 unq 24 iso 0 dist 7.36323 9.12854 5.59311 8.87744 6.28159 9.86385 13.2229 8.4051 12.8389 12.3034 numMergedOcc 0
27 mol 24 unq 25 iso 0 dist 7.36323 9.12854 5.59311 8.87744 6.28159 9.86385 6.38336 8.23446 11.4596 4.5711 numMergedOcc 0
28 mol 24 unq 26 iso 0 dist 7.36323 9.12854 5.59311 8.87744 6.28159 9.86385 6.7828 8.75662 11.6684 12.6707 numMergedOcc 0
29 mol 24 unq 27 iso 0 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 13.2229 8.4051 12.8389 9.84204 numMergedOcc 0
30 mol 24 unq 28 iso 0 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 6.38336 8.23446 11.4596 4.44526 numMergedOcc 0
31 mol 24 unq 29 iso 0 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 6.7828 8.75662 11.6684 9.586 numMergedOcc 0
32 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 5.77929 8.87757 6.25843 12.7995 numMergedOcc 0
33 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 5.77929 8.87757 6.25843 9.16515 numMergedOcc 0
34 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 5.77929 8.87757 6.25843 11.5214 numMergedOcc 0
35 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 5.77929 8.87757 6.25843 9.82987 numMergedOcc 0
36 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 5.77929 8.87757 6.25843 13.3492 numMergedOcc 0
37 mol 25 unq 5 iso 0 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 5.77929 8.87757 6.25843 6.53269 numMergedOcc 0
38 mol 25 unq 6 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 5.77929 8.87757 8.88938 12.7995 numMergedOcc 0
39 mol 25 unq 7 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 5.77929 8.87757 8.88938 9.16515 numMergedOcc 0
40 mol 25 unq 8 iso 0 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 5.77929 8.87757 8.88938 11.5214 numMergedOcc 0
41 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 5.77929 8.87757 8.88938 9.82987 numMergedOcc 0
42 mol 25 unq 10 iso 0 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 5.77929 8.87757 8.88938 13.3492 numMergedOcc 0
43 mol 25 unq 11 iso 0 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 5.77929 8.87757 8.88938 6.53269 numMergedOcc 0
44 mol 25 unq 12 iso 0 dist 5.04899 8.87757 5.77929 7.05196 6.47509 3.904 7.33728 7.45383 6.25843 5.20109 numMergedOcc 0
45 mol 25 unq 13 iso 0 dist 5.04899 8.87757 5.77929 7.05196 6.47509 3.904 13.9331 9.01548 8.88938 12.506 numMergedOcc 0
46 mol 25 unq 14 iso 0 dist 7.57578 6.16347 9.34396 4.79873 10.2864 5.46578 6.08585 8.50222 6.25843 9.35791 numMergedOcc 0
47 mol 25 unq 15 iso 0 dist 7.57578 6.16347 9.34396 9.48085 5.18617 9.62058 6.08585 8.50222 6.25843 6.53269 numMergedOcc 0
48 mol 25 unq 16 iso 0 dist 7.57578 7.92503 6.11127 4.79873 10.2864 11.0175 6.08585 8.50222 11.4912 9.35791 numMergedOcc 0
49 mol 25 unq 17 iso 0 dist 7.57578 7.92503 6.11127 9.48085 5.18617 10.2758 6.08585 8.50222 11.4912 6.53269 numMergedOcc 0
50 mol 25 unq 18 iso 0 dist 7.17969 6.16347 10.8498 4.79873 11.4148 5.46578 6.08585 7.55264 6.25843 9.35791 numMergedOcc 0
51 mol 25 unq 19 iso 0 dist 7.17969 6.16347 10.8498 9.48085 5.68041 9.62058 6.08585 7.55264 6.25843 6.53269 numMergedOcc 0
52 mol 25 unq 20 iso 0 dist 7.17969 7.92503 5.30154 4.79873 11.4148 11.0175 6.08585 7.55264 11.4912 9.35791 numMergedOcc 0
53 mol 25 unq 21 iso 0 dist 7.17969 7.92503 5.30154 9.48085 5.68041 10.2758 6.08585 7.55264 11.4912 6.53269 numMergedOcc 0
54 mol 25 unq 22 iso 0 dist 6.03987 8.6653 5.82503 7.6114 5.86705 10.8122 5.68392 6.85556 12.0452 6.29797 numMergedOcc 0
55 mol 25 unq 23 iso 0 dist 6.03987 6.85556 5.68392 7.99919 4.77954 6.19011 5.82503 8.6653 12.0452 10.4755 numMergedOcc 0
56 mol 58 unq 0 iso 0 dist 6.62496 5.93884 5.78774 9.22598 9.87158 5.66912 9.95364 8.80614 10.2007 9.01564 numMergedOcc 0
57 mol 58 unq 1 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 5.49591 8.80614 10.2007 9.01564 numMergedOcc 0
58 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 5.49591 8.80614 10.2007 7.11065 numMergedOcc 0
59 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 5.10496 3.9764 3.94967 4.4057 6.65501 6.88901 4.62494 numMergedOcc 0
60 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 7.54889 10.4782 3.92737 9.67482 6.65501 6.88901 8.46823 numMergedOcc 0
61 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 9.67482 6.65501 6.88901 4.62494 numMergedOcc 0
62 mol 100 unq 0 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 12.2861 8.30845 17.21 13.9449 numMergedOcc 0
63 mol 100 unq 1 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 15.5385 8.76378 18.3027 10.8812 numMergedOcc 0
64 mol 100 unq 2 iso 0 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 12.2861 8.30845 17.21 13.2383 numMergedOcc 0
65 mol 100 unq 3 iso 0 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 15.5385 8.76378 18.3027 11.4348 numMergedOcc 0
66 mol 119 unq 0 iso 0 dist 6.18601 8.00003 10.4376 8.95212 4.39676 12.3661 5.13589 6.73586 13.0074 8.67537 numMergedOcc 0
67 mol 129 unq 0 iso 0 dist 5.83384 9.36851 10.7293 5.58833 9.00231 9.30433 4.55551 6.28565 9.73158 9.8591 numMergedOcc 0
68 mol 129 unq 1 iso 0 dist 5.83384 9.36851 10.7293 5.58833 9.00231 9.30433 10.5488 7.58957 16.1714 15.5412 numMergedOcc 0
69 mol 129 unq 2 iso 0 dist 5.83384 4.97175 7.29399 5.58833 9.00231 4.28744 4.55551 6.28565 7.59327 9.8591 numMergedOcc 0
70 mol 129 unq 3 iso 0 dist 5.83384 4.97175 7.29399 5.58833 9.00231 4.28744 10.5488 7.58957 13.8117 15.5412 numMergedOcc 0
71 mol 134 unq 0 iso 0 dist 6.49416 6.23142 5.71679 9.33094 12.3479 6.93712 9.87376 7.80532 6.40575 10.1824 numMergedOcc 0
72 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 9.76212 12.9532 6.39406 8.91338 8.90963 12.1629 17.8171 numMergedOcc 0
73 mol 181 unq 1 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 4.43096 6.46704 7.32087 7.35884 numMergedOcc 0
74 mol 181 unq 2 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 8.04639 6.59025 8.86197 11.6588 numMergedOcc 0
75 mol 181 unq 3 iso 0 dist 7.81386 5.94469 7.77758 6.64173 6.8757 4.98436 7.20191 9.39829 11.8933 12.6232 numMergedOcc 0
76 mol 181 unq 4 iso 0 dist 7.81386 5.94469 7.77758 9.01624 5.71898 11.9796 7.20191 9.39829 11.8933 5.99437 numMergedOcc 0
77 mol 181 unq 5 iso 0 dist 7.81386 5.94469 7.77758 9.55105 5.83796 12.3589 7.20191 9.39829 11.8933 8.4848 numMergedOcc 0
78 mol 181 unq 6 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 5.63555 5.9176 10.3104 8.12266 numMergedOcc 0
79 mol 181 unq 7 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 7.20191 6.41453 11.8933 12.6232 numMergedOcc 0
80 mol 181 unq 8 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 5.63555 5.9176 10.3104 10.5303 numMergedOcc 0
81 mol 181 unq 9 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 7.20191 6.41453 11.8933 5.99437 numMergedOcc 0
82 mol 181 unq 10 iso 0 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 5.63555 5.9176 10.3104 9.43306 numMergedOcc 0
83 mol 181 unq 11 iso 0 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 7.20191 6.41453 11.8933 8.4848 numMergedOcc 0
84 mol 204 unq 0 iso 0 dist 8.51516 9.68728 10.8573 7.9133 5.57347 14.0756 5.86489 7.32294 10.2072 9.48625 numMergedOcc 0
85 mol 205 unq 0 iso 0 dist 7.26832 6.03688 12.4957 6.52816 13.514 5.28417 10.3603 5.44002 15.3509 16.7889 numMergedOcc 0
86 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 6.71524 5.10213 11.2243 4.9377 9.40808 9.8664 9.9183 numMergedOcc 0
