0 mol 15 unq 0 iso 0 dist 8.38064 7.07399 4.29582 4.39605 7.48342 6.03257 5.49251 9.84471 6.23015 5.20798 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 8.40416 9.74255 4.64838 6.41575 9.95212 10.4416 13.0732 8.54034 9.79414 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.75618 9.74255 4.97119 6.41575 9.95212 8.7083 13.0732 8.54034 9.79414 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.51865 8.40416 7.08342 4.64838 6.41423 9.95212 10.4416 12.2354 8.54034 9.79414 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.864 7.75618 7.08342 4.97119 6.41423 9.95212 8.7083 12.2354 8.54034 9.79414 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 8.91183 12.5088 6.19899 4.08755 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 6.66749 9.41441 4.2121 13.0212 15.4457 8.49709 6.86136 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 8.91183 12.5088 6.61696 4.08755 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 6.66749 9.41441 6.72323 5.69214 7.95042 5.80953 10.0453 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 9.88364 10.2862 9.85784 5.70626 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 6.86014 9.41441 6.66749 4.32034 7.33768 8.00171 9.78753 11.825 9.87996 5.62738 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 9.88364 10.2862 9.85784 11.076 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 6.86014 9.41441 6.66749 8.67951 9.01567 4.2121 9.78753 11.825 9.87996 9.68535 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 9.88364 10.2862 9.85784 14.6305 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 6.86014 9.41441 6.66749 8.52463 7.29868 6.72323 9.78753 11.825 9.87996 14.3224 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 14.8647 12.5088 6.61696 4.08755 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 8.86116 8.60554 8.52463 14.012 9.41441 6.72323 5.11636 7.95042 5.80953 10.0453 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 8.86116 8.44664 10.971 14.012 9.41441 18.7793 4.79736 12.3058 9.98592 18.0797 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 8.86116 9.44691 13.4893 14.012 9.41441 15.7523 14.4081 17.9275 9.586 14.7634 numMergedOcc 0
19 mol 24 unq 14 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 9.88364 18.188 9.85784 14.6305 numMergedOcc 0
20 mol 24 unq 15 iso 0 dist 8.86116 9.41441 14.012 8.52463 8.60554 6.72323 9.78753 18.4146 9.87996 14.3224 numMergedOcc 0
21 mol 24 unq 16 iso 0 dist 8.86116 9.41441 14.012 10.971 8.44664 18.7793 9.88364 18.188 9.85784 20.4941 numMergedOcc 0
22 mol 24 unq 17 iso 0 dist 8.86116 9.41441 14.012 10.971 8.44664 18.7793 9.78753 18.4146 9.87996 19.6248 numMergedOcc 0
23 mol 24 unq 18 iso 0 dist 8.86116 9.41441 14.012 13.4893 9.44691 15.7523 9.88364 18.188 9.85784 22.0999 numMergedOcc 0
24 mol 24 unq 19 iso 0 dist 8.86116 9.41441 14.012 13.4893 9.44691 15.7523 9.78753 18.4146 9.87996 20.7997 numMergedOcc 0
25 mol 24 unq 20 iso 0 dist 5.54419 8.4051 5.11617 5.59311 8.70827 12.8389 10.1698 5.68215 6.61696 13.7009 numMergedOcc 0
26 mol 24 unq 21 iso 0 dist 5.54419 8.4051 5.11617 5.59311 8.70827 12.8389 13.6174 10.9113 5.80953 18.3168 numMergedOcc 0
27 mol 24 unq 22 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 10.1698 5.68215 6.61696 4.08755 numMergedOcc 0
28 mol 24 unq 23 iso 0 dist 5.54419 8.4051 5.11617 12.176 6.73939 6.72323 13.6174 10.9113 5.80953 10.0453 numMergedOcc 0
29 mol 24 unq 24 iso 0 dist 5.54419 8.23446 13.1779 5.59311 8.70827 11.4596 5.73029 9.16003 9.33304 5.57665 numMergedOcc 0
30 mol 24 unq 25 iso 0 dist 5.54419 8.23446 13.1779 5.59311 8.70827 11.4596 6.28159 10.4135 4.5711 9.86385 numMergedOcc 0
31 mol 24 unq 26 iso 0 dist 5.54419 8.23446 13.1779 5.59311 8.70827 11.4596 5.50396 9.33482 4.44526 10.4353 numMergedOcc 0
32 mol 24 unq 27 iso 0 dist 5.54419 8.23446 13.1779 12.176 6.73939 19.0465 5.73029 9.16003 9.33304 15.0789 numMergedOcc 0
33 mol 24 unq 28 iso 0 dist 5.54419 8.23446 13.1779 12.176 6.73939 19.0465 6.28159 10.4135 4.5711 15.9573 numMergedOcc 0
34 mol 24 unq 29 iso 0 dist 5.54419 8.23446 13.1779 12.176 6.73939 19.0465 5.50396 9.33482 4.44526 14.7634 numMergedOcc 0
35 mol 24 unq 30 iso 0 dist 5.54419 8.75662 10.8238 5.59311 8.70827 11.6684 5.50396 9.33482 9.586 10.4353 numMergedOcc 0
36 mol 24 unq 31 iso 0 dist 5.54419 8.75662 10.8238 12.176 6.73939 15.7523 5.50396 9.33482 9.586 14.7634 numMergedOcc 0
37 mol 24 unq 32 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 15.4313 20.8425 9.85784 14.6305 numMergedOcc 0
38 mol 24 unq 33 iso 0 dist 5.54419 6.73939 12.176 5.11617 8.4051 6.72323 14.1829 19.3627 9.87996 14.3224 numMergedOcc 0
39 mol 24 unq 34 iso 0 dist 5.54419 6.73939 12.176 13.1779 8.23446 19.0465 15.4313 20.8425 9.85784 28.2232 numMergedOcc 0
40 mol 24 unq 35 iso 0 dist 5.54419 6.73939 12.176 13.1779 8.23446 19.0465 14.1829 19.3627 9.87996 27.185 numMergedOcc 0
41 mol 24 unq 36 iso 0 dist 5.54419 6.73939 12.176 10.8238 8.75662 15.7523 15.4313 20.8425 9.85784 22.0999 numMergedOcc 0
42 mol 24 unq 37 iso 0 dist 5.54419 6.73939 12.176 10.8238 8.75662 15.7523 14.1829 19.3627 9.87996 20.7997 numMergedOcc 0
43 mol 24 unq 38 iso 0 dist 7.36323 8.4051 13.2229 5.59311 9.12854 12.8389 10.1698 17.003 6.61696 13.7009 numMergedOcc 0
44 mol 24 unq 39 iso 0 dist 7.36323 8.4051 13.2229 5.59311 9.12854 12.8389 13.6174 16.707 5.80953 18.3168 numMergedOcc 0
45 mol 24 unq 40 iso 0 dist 7.36323 8.23446 6.38336 5.59311 9.12854 11.4596 5.73029 10.502 9.33304 5.57665 numMergedOcc 0
46 mol 24 unq 41 iso 0 dist 7.36323 8.23446 6.38336 5.59311 9.12854 11.4596 6.28159 8.87744 4.5711 9.86385 numMergedOcc 0
47 mol 24 unq 42 iso 0 dist 7.36323 8.23446 6.38336 5.59311 9.12854 11.4596 5.50396 7.27472 4.44526 10.4353 numMergedOcc 0
48 mol 24 unq 43 iso 0 dist 7.36323 8.75662 6.7828 5.59311 9.12854 11.6684 5.50396 7.27472 9.586 10.4353 numMergedOcc 0
49 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 5.77929 8.87757 6.25843 6.47509 7.05196 5.20109 3.904 numMergedOcc 0
50 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 4.69295 6.55597 9.16515 4.98822 numMergedOcc 0
51 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 8.79309 7.07751 9.82987 7.91914 numMergedOcc 0
52 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 14.9206 11.008 9.40732 10.9145 numMergedOcc 0
53 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 7.33728 7.45383 6.25843 13.6145 9.49421 6.53269 9.62058 numMergedOcc 0
54 mol 25 unq 5 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 4.69295 6.55597 9.16515 13.4321 numMergedOcc 0
55 mol 25 unq 6 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 8.79309 7.07751 9.82987 9.66912 numMergedOcc 0
56 mol 25 unq 7 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 14.9206 11.008 9.40732 5.86134 numMergedOcc 0
57 mol 25 unq 8 iso 0 dist 5.04899 8.87757 5.77929 13.9331 9.01548 8.88938 13.6145 9.49421 6.53269 5.38592 numMergedOcc 0
58 mol 25 unq 9 iso 0 dist 7.57578 6.16347 9.34396 6.08585 8.50222 6.25843 5.63212 10.9703 5.20109 3.904 numMergedOcc 0
59 mol 25 unq 10 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 13.2447 11.037 9.16515 4.98822 numMergedOcc 0
60 mol 25 unq 11 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 11.8139 13.0315 9.82987 7.91914 numMergedOcc 0
61 mol 25 unq 12 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 6.28979 11.971 9.40732 10.9145 numMergedOcc 0
62 mol 25 unq 13 iso 0 dist 7.57578 8.50222 6.08585 9.34396 6.16347 6.25843 5.18617 9.48085 6.53269 9.62058 numMergedOcc 0
63 mol 25 unq 14 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 13.2447 11.037 9.16515 17.5013 numMergedOcc 0
64 mol 25 unq 15 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 11.8139 13.0315 9.82987 17.4121 numMergedOcc 0
65 mol 25 unq 16 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 6.28979 11.971 9.40732 12.1404 numMergedOcc 0
66 mol 25 unq 17 iso 0 dist 7.57578 8.50222 6.08585 6.11127 7.92503 11.4912 5.18617 9.48085 6.53269 10.2758 numMergedOcc 0
67 mol 25 unq 18 iso 0 dist 7.17969 6.16347 10.8498 6.08585 7.55264 6.25843 5.63212 10.3338 5.20109 3.904 numMergedOcc 0
68 mol 25 unq 19 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 14.9982 11.037 9.16515 4.98822 numMergedOcc 0
69 mol 25 unq 20 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 14.1251 13.0315 9.82987 7.91914 numMergedOcc 0
70 mol 25 unq 21 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 8.41421 11.971 9.40732 10.9145 numMergedOcc 0
71 mol 25 unq 22 iso 0 dist 7.17969 7.55264 6.08585 10.8498 6.16347 6.25843 5.68041 9.48085 6.53269 9.62058 numMergedOcc 0
72 mol 25 unq 23 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 14.9982 11.037 9.16515 17.5013 numMergedOcc 0
73 mol 25 unq 24 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 14.1251 13.0315 9.82987 17.4121 numMergedOcc 0
74 mol 25 unq 25 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 8.41421 11.971 9.40732 12.1404 numMergedOcc 0
75 mol 25 unq 26 iso 0 dist 7.17969 7.55264 6.08585 5.30154 7.92503 11.4912 5.68041 9.48085 6.53269 10.2758 numMergedOcc 0
76 mol 25 unq 27 iso 0 dist 6.03987 6.85556 5.68392 5.82503 8.6653 12.0452 5.86705 7.6114 6.29797 10.8122 numMergedOcc 0
77 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 5.78774 9.92355 10.2007 11.3019 15.888 7.58739 10.3684 numMergedOcc 0
78 mol 58 unq 1 iso 0 dist 6.86465 8.80614 10.2049 5.78774 9.92355 10.2007 9.87158 13.3281 9.01564 5.66912 numMergedOcc 0
79 mol 58 unq 2 iso 0 dist 6.86465 8.80614 10.2049 5.78774 9.92355 10.2007 5.86526 11.5155 7.11065 5.76523 numMergedOcc 0
80 mol 58 unq 3 iso 0 dist 6.86465 9.92355 5.78774 10.2049 8.80614 10.2007 6.57389 10.2845 9.53438 10.5604 numMergedOcc 0
81 mol 58 unq 4 iso 0 dist 6.62496 8.80614 9.95364 5.78774 5.93884 10.2007 11.3019 13.813 7.58739 10.3684 numMergedOcc 0
82 mol 58 unq 5 iso 0 dist 6.62496 8.80614 9.95364 5.78774 5.93884 10.2007 9.87158 9.22598 9.01564 5.66912 numMergedOcc 0
83 mol 58 unq 6 iso 0 dist 6.62496 8.80614 9.95364 5.78774 5.93884 10.2007 5.86526 9.55996 7.11065 5.76523 numMergedOcc 0
84 mol 58 unq 7 iso 0 dist 6.62496 5.93884 5.78774 9.95364 8.80614 10.2007 4.23671 10.2845 9.53438 10.5604 numMergedOcc 0
85 mol 58 unq 8 iso 0 dist 6.35756 8.80614 5.49591 5.78774 7.68678 10.2007 11.3019 11.2189 7.58739 10.3684 numMergedOcc 0
86 mol 58 unq 9 iso 0 dist 6.35756 8.80614 5.49591 5.78774 7.68678 10.2007 9.87158 8.96727 9.01564 5.66912 numMergedOcc 0
87 mol 58 unq 10 iso 0 dist 6.35756 8.80614 5.49591 5.78774 7.68678 10.2007 5.86526 8.01308 7.11065 5.76523 numMergedOcc 0
88 mol 58 unq 11 iso 0 dist 6.35756 7.68678 5.78774 5.49591 8.80614 10.2007 5.6823 10.2845 9.53438 10.5604 numMergedOcc 0
89 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 10.4782 9.81956 8.46823 3.92737 numMergedOcc 0
90 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 7.06961 6.7117 6.88901 3.9764 5.10496 4.62494 3.94967 numMergedOcc 0
91 mol 98 unq 2 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 10.4782 7.54889 8.46823 3.92737 numMergedOcc 0
92 mol 98 unq 3 iso 0 dist 6.10456 6.65501 9.67482 7.06961 4.47349 6.88901 3.9764 5.2571 4.62494 3.94967 numMergedOcc 0
93 mol 100 unq 0 iso 0 dist 7.17106 7.01812 8.4128 10.6848 7.10378 9.5057 4.03277 10.5432 6.59691 12.48 numMergedOcc 0
94 mol 100 unq 1 iso 0 dist 7.47343 8.30845 12.2861 11.2312 7.38135 17.21 6.23008 9.76432 6.59691 12.0033 numMergedOcc 0
95 mol 119 unq 0 iso 0 dist 6.18601 8.00003 10.4376 5.13589 6.73586 13.0074 9.85023 13.6983 6.18678 14.1584 numMergedOcc 0
96 mol 119 unq 1 iso 0 dist 6.18601 6.73586 5.13589 10.4376 8.00003 13.0074 4.39676 8.95212 8.67537 12.3661 numMergedOcc 0
97 mol 129 unq 0 iso 0 dist 5.83384 4.97175 7.29399 4.55551 6.28565 7.59327 6.16616 11.8464 9.35533 8.3321 numMergedOcc 0
98 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 10.5488 7.58957 13.8117 6.16616 11.8464 9.35533 14.6137 numMergedOcc 0
99 mol 129 unq 2 iso 0 dist 5.83384 7.58957 10.5488 10.7293 9.36851 16.1714 6.28232 11.7541 6.34626 16.1557 numMergedOcc 0
100 mol 129 unq 3 iso 0 dist 5.83384 7.58957 10.5488 7.29399 4.97175 13.8117 6.28232 11.7541 6.34626 13.4653 numMergedOcc 0
101 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 7.41674 5.83771 6.40575 12.847 13.0242 9.0176 15.0575 numMergedOcc 0
102 mol 134 unq 1 iso 0 dist 6.54501 7.69991 5.71679 7.41674 7.80532 6.40575 12.847 11.988 9.0176 15.0575 numMergedOcc 0
103 mol 134 unq 2 iso 0 dist 6.49416 6.23142 5.71679 9.87376 7.80532 6.40575 8.06642 11.988 9.0176 15.0575 numMergedOcc 0
104 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 6.28125 10.0802 9.06571 5.3698 numMergedOcc 0
105 mol 181 unq 1 iso 0 dist 8.03334 6.46704 4.43096 7.81713 6.2479 7.32087 6.50233 9.76212 7.35884 6.39406 numMergedOcc 0
106 mol 181 unq 2 iso 0 dist 8.03334 6.59025 8.04639 7.81713 6.2479 8.86197 6.28125 10.0802 9.88897 5.3698 numMergedOcc 0
107 mol 181 unq 3 iso 0 dist 7.81386 9.39829 7.20191 7.77758 5.94469 11.8933 5.71898 9.01624 5.99437 11.9796 numMergedOcc 0
108 mol 181 unq 4 iso 0 dist 7.81386 9.39829 7.20191 7.77758 5.94469 11.8933 5.83796 9.55105 8.4848 12.3589 numMergedOcc 0
109 mol 181 unq 5 iso 0 dist 7.81386 5.94469 7.77758 7.20191 9.39829 11.8933 5.42158 9.81178 8.06308 6.16988 numMergedOcc 0
110 mol 181 unq 6 iso 0 dist 7.63312 5.9176 5.63555 12.5387 5.94469 10.3104 10.6474 6.64173 8.12266 4.98436 numMergedOcc 0
111 mol 181 unq 7 iso 0 dist 7.63312 5.9176 5.63555 12.5387 5.94469 10.3104 5.12833 9.55105 9.43306 12.3589 numMergedOcc 0
112 mol 181 unq 8 iso 0 dist 7.63312 5.9176 5.63555 12.5387 5.94469 10.3104 4.61184 11.7785 8.59681 16.0445 numMergedOcc 0
113 mol 181 unq 9 iso 0 dist 7.63312 6.41453 7.20191 12.5387 5.94469 11.8933 5.93724 9.01624 5.99437 11.9796 numMergedOcc 0
114 mol 181 unq 10 iso 0 dist 7.63312 6.41453 7.20191 12.5387 5.94469 11.8933 5.12833 9.55105 8.4848 12.3589 numMergedOcc 0
115 mol 181 unq 11 iso 0 dist 7.63312 5.94469 12.5387 5.63555 5.9176 10.3104 5.42158 10.6106 8.06308 10.513 numMergedOcc 0
116 mol 181 unq 12 iso 0 dist 7.63312 5.94469 12.5387 7.20191 6.41453 11.8933 5.42158 10.6106 8.06308 6.16988 numMergedOcc 0
117 mol 204 unq 0 iso 0 dist 8.51516 7.32294 5.86489 10.8573 9.68728 10.2072 5.57347 7.9133 9.48625 14.0756 numMergedOcc 0
118 mol 231 unq 0 iso 0 dist 7.37839 7.79066 9.0443 6.37275 6.98875 12.7246 4.15084 9.97669 9.60504 6.94651 numMergedOcc 0
119 mol 231 unq 1 iso 0 dist 8.40182 7.79066 12.1512 6.37275 6.54852 12.7246 4.15084 11.4076 9.60504 6.94651 numMergedOcc 0
120 mol 232 unq 0 iso 0 dist 8.27212 9.05071 8.80479 4.9377 9.40808 9.8664 5.42461 10.3021 6.59036 4.68548 numMergedOcc 0
121 mol 232 unq 1 iso 0 dist 8.27212 9.40808 4.9377 8.80479 9.05071 9.8664 5.10213 6.71524 9.9183 11.2243 numMergedOcc 0
122 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 6.20558 9.85289 6.88827 16.9539 12.8334 8.60027 13.3632 numMergedOcc 0
