0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 6.88805 5.99459 8.81608 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 13.156 9.67164 14.144 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.36807 10.515 13.156 9.67164 8.81608 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 8.69454 8.55451 13.2602 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 8.57077 6.85412 8.27962 5.84314 5.8245 9.71516 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 8.57077 6.33889 11.4878 8.69454 8.55451 12.6418 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 9.75144 5.39241 5.69214 7.95042 11.8884 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 4.77954 7.99919 12.201 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 8.80331 9.83618 10.4442 5.41726 6.6263 13.07 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 6.20293 9.83618 9.49077 5.41726 6.75943 13.07 numMergedOcc 0
11 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 5.1274 9.33906 13.126 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.62496 9.58673 10.2241 9.87158 9.22598 15.7229 numMergedOcc 0
15 mol 58 unq 3 iso 0 dist 6.35756 9.58673 7.05413 9.87158 8.96727 15.7229 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 6.35756 9.58673 7.05413 5.86526 8.01308 12.8612 numMergedOcc 0
17 mol 58 unq 5 iso 0 dist 6.64012 6.46761 5.24906 4.00553 9.08221 10.1478 numMergedOcc 0
18 mol 58 unq 6 iso 0 dist 6.64012 7.58407 5.11205 4.00553 9.08221 10.7327 numMergedOcc 0
19 mol 58 unq 7 iso 0 dist 9.4099 9.73139 5.24906 8.55984 9.08221 10.1478 numMergedOcc 0
20 mol 58 unq 8 iso 0 dist 9.4099 6.31428 5.11205 8.55984 9.08221 10.7327 numMergedOcc 0
21 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 13.4212 9.10345 10.8476 numMergedOcc 0
23 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 7.47371 7.12321 9.14817 numMergedOcc 0
24 mol 72 unq 3 iso 0 dist 9.78528 9.02278 11.6894 9.78221 9.55118 16.0371 numMergedOcc 0
25 mol 72 unq 4 iso 0 dist 9.78528 9.02278 11.6894 11.6634 9.10345 18.3118 numMergedOcc 0
26 mol 72 unq 5 iso 0 dist 9.78528 7.321 6.11922 7.47371 6.21799 9.14817 numMergedOcc 0
27 mol 72 unq 6 iso 0 dist 9.78528 7.321 6.11922 9.67587 5.03251 9.76686 numMergedOcc 0
28 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 7.07356 7.66093 9.437 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 6.19965 9.47876 11.6116 4.41789 7.7068 10.7558 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.66905 7.22293 11.6116 5.59906 7.7068 10.7558 numMergedOcc 0
31 mol 88 unq 0 iso 0 dist 9.36773 9.2603 6.95868 12.1193 7.80898 12.9048 numMergedOcc 0
32 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 4.3481 7.06939 10.5758 numMergedOcc 0
33 mol 92 unq 1 iso 0 dist 9.64443 8.36431 12.4284 5.31547 9.36001 13.3865 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.60661 6.58204 10.9608 4.03277 8.91882 10.259 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 7.47343 7.75343 15.209 5.9143 7.82475 11.3652 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 7.47343 7.75343 15.209 5.47563 5.35782 12.1809 numMergedOcc 0
37 mol 100 unq 3 iso 0 dist 6.65086 7.75343 10.9608 6.23008 8.91882 10.259 numMergedOcc 0
38 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 5.00433 8.52024 9.74008 numMergedOcc 0
39 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 5.03039 6.04595 13.0432 numMergedOcc 0
40 mol 115 unq 1 iso 0 dist 9.33865 9.66954 6.09023 6.95773 6.24825 10.8109 numMergedOcc 0
41 mol 115 unq 2 iso 0 dist 9.33865 7.64585 10.2377 6.95773 6.24825 7.65255 numMergedOcc 0
42 mol 115 unq 3 iso 0 dist 9.33865 7.76729 10.7942 6.63111 6.39384 8.0168 numMergedOcc 0
43 mol 115 unq 4 iso 0 dist 5.83991 8.66155 6.09023 6.01673 6.24825 10.8109 numMergedOcc 0
44 mol 115 unq 5 iso 0 dist 5.83991 7.76729 10.9739 4.48636 7.69765 10.1174 numMergedOcc 0
45 mol 115 unq 6 iso 0 dist 5.83991 7.76729 10.9739 6.63111 9.42082 8.0168 numMergedOcc 0
46 mol 115 unq 7 iso 0 dist 6.11741 6.99777 10.8292 6.07067 6.39384 12.9982 numMergedOcc 0
47 mol 115 unq 8 iso 0 dist 6.11741 9.14376 6.12943 6.07067 6.39384 10.7985 numMergedOcc 0
48 mol 115 unq 9 iso 0 dist 7.88312 6.99777 11.7126 11.835 7.69765 16.7897 numMergedOcc 0
49 mol 115 unq 10 iso 0 dist 7.88312 6.99777 11.7126 6.07067 9.42082 12.9982 numMergedOcc 0
50 mol 115 unq 11 iso 0 dist 7.88312 9.14376 4.62962 11.835 7.69765 12.0921 numMergedOcc 0
51 mol 115 unq 12 iso 0 dist 7.88312 9.14376 4.62962 6.07067 9.42082 10.7985 numMergedOcc 0
52 mol 117 unq 0 iso 0 dist 7.90328 6.62561 4.91401 7.20875 8.84018 9.94053 numMergedOcc 0
53 mol 117 unq 1 iso 0 dist 7.83136 7.63616 4.91401 3.77029 8.84018 9.94053 numMergedOcc 0
54 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 numMergedOcc 0
55 mol 119 unq 1 iso 0 dist 9.87172 9.38288 11.7228 6.20019 6.99446 12.4009 numMergedOcc 0
56 mol 119 unq 2 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 numMergedOcc 0
57 mol 119 unq 3 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 numMergedOcc 0
58 mol 119 unq 4 iso 0 dist 6.18601 9.80862 9.35964 4.39676 8.95212 9.56225 numMergedOcc 0
59 mol 119 unq 5 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 numMergedOcc 0
60 mol 127 unq 0 iso 0 dist 9.30299 8.59981 14.085 12.8087 6.08673 17.7403 numMergedOcc 0
61 mol 127 unq 1 iso 0 dist 9.30299 7.34519 13.1312 12.8087 6.08673 17.9198 numMergedOcc 0
62 mol 130 unq 0 iso 0 dist 8.70949 6.89257 8.84655 4.97996 6.93139 10.1252 numMergedOcc 0
63 mol 130 unq 1 iso 0 dist 8.70949 8.74308 6.76754 4.97996 6.93139 10.5067 numMergedOcc 0
64 mol 133 unq 0 iso 0 dist 8.00618 7.92688 12.2037 15.0115 8.77023 16.243 numMergedOcc 0
65 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.41373 9.33094 11.7151 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 10.8635 9.33094 11.7151 numMergedOcc 0
67 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 12.3479 9.33094 11.7151 numMergedOcc 0
68 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 12.8086 9.1998 14.0978 numMergedOcc 0
69 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 7.41373 8.69531 11.7151 numMergedOcc 0
70 mol 134 unq 5 iso 0 dist 9.71307 5.42582 6.17103 15.0225 9.1998 14.0978 numMergedOcc 0
71 mol 134 unq 6 iso 0 dist 9.71307 5.42582 6.17103 10.8635 8.69531 11.7151 numMergedOcc 0
72 mol 152 unq 0 iso 0 dist 8.56324 9.13561 5.99333 5.39112 6.59889 10.5081 numMergedOcc 0
73 mol 152 unq 1 iso 0 dist 8.56324 9.13561 5.99333 4.84714 8.9192 12.0501 numMergedOcc 0
74 mol 152 unq 2 iso 0 dist 6.70283 9.13561 8.25411 5.39112 6.70693 10.5081 numMergedOcc 0
75 mol 155 unq 0 iso 0 dist 7.46303 9.17284 6.3437 9.16779 8.97626 13.5963 numMergedOcc 0
76 mol 155 unq 1 iso 0 dist 6.43582 9.38946 12.8482 4.91785 8.97626 7.29911 numMergedOcc 0
77 mol 155 unq 2 iso 0 dist 6.43582 7.36102 8.27726 4.91785 8.97626 5.36254 numMergedOcc 0
78 mol 178 unq 0 iso 0 dist 6.69288 8.96511 10.5783 6.42973 7.06025 12.6109 numMergedOcc 0
79 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 12.9532 9.76212 14.5897 numMergedOcc 0
80 mol 181 unq 1 iso 0 dist 9.1374 6.71012 4.77278 12.9532 9.76212 12.3788 numMergedOcc 0
81 mol 181 unq 2 iso 0 dist 7.81386 4.93785 6.7991 6.8757 6.64173 9.09234 numMergedOcc 0
82 mol 181 unq 3 iso 0 dist 7.81386 4.93785 6.7991 5.71898 9.01624 6.76746 numMergedOcc 0
83 mol 181 unq 4 iso 0 dist 7.81386 4.93785 6.7991 5.83796 9.55105 8.92098 numMergedOcc 0
84 mol 181 unq 5 iso 0 dist 7.63312 6.93764 4.80231 10.6474 6.64173 10.9785 numMergedOcc 0
85 mol 181 unq 6 iso 0 dist 7.63312 6.93764 4.80231 5.93724 9.01624 10.1634 numMergedOcc 0
86 mol 181 unq 7 iso 0 dist 7.63312 6.93764 4.80231 5.12833 9.55105 10.9567 numMergedOcc 0
87 mol 182 unq 0 iso 0 dist 9.31746 6.73313 11.1088 8.82964 9.56028 13.9393 numMergedOcc 0
88 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 11.1534 7.46481 8.70987 numMergedOcc 0
89 mol 222 unq 0 iso 0 dist 7.21333 6.82208 12.2813 6.84862 5.56538 11.8745 numMergedOcc 0
90 mol 222 unq 1 iso 0 dist 7.21333 6.82208 12.2813 9.53117 7.48954 12.9858 numMergedOcc 0
91 mol 222 unq 2 iso 0 dist 7.54212 7.18956 7.61682 12.8595 6.74196 14.2305 numMergedOcc 0
92 mol 222 unq 3 iso 0 dist 7.54212 7.18956 7.61682 12.5866 8.36842 14.562 numMergedOcc 0
93 mol 222 unq 4 iso 0 dist 7.54212 7.18956 7.61682 11.9567 9.75472 15.6152 numMergedOcc 0
94 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 5.13732 8.08349 5.73591 numMergedOcc 0
95 mol 224 unq 1 iso 0 dist 6.57273 6.87664 7.12232 7.05804 8.79428 10.8888 numMergedOcc 0
96 mol 224 unq 2 iso 0 dist 5.78342 6.87664 5.3621 7.05804 6.8692 10.8888 numMergedOcc 0
97 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 numMergedOcc 0
98 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 11.0772 9.08509 14.4363 numMergedOcc 0
99 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 11.0772 9.08509 10.529 numMergedOcc 0
100 mol 238 unq 3 iso 0 dist 7.31233 7.67322 12.6986 11.0772 9.08509 9.99105 numMergedOcc 0
101 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 numMergedOcc 0
102 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 4.58289 9.05018 5.0345 numMergedOcc 0
103 mol 259 unq 0 iso 0 dist 7.88519 7.48005 11.6195 11.6988 9.46361 9.43105 numMergedOcc 0
104 mol 259 unq 1 iso 0 dist 7.46176 7.48005 5.79468 10.067 5.85442 6.23661 numMergedOcc 0
105 mol 259 unq 2 iso 0 dist 7.46176 7.48005 5.79468 11.6988 6.95511 9.43105 numMergedOcc 0
106 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 4.04513 8.03219 8.84648 numMergedOcc 0
107 mol 259 unq 4 iso 0 dist 5.30224 8.37865 5.31048 7.09907 6.9899 6.23661 numMergedOcc 0
108 mol 272 unq 0 iso 0 dist 8.48753 7.67853 6.64985 5.12237 6.44147 8.84523 numMergedOcc 0
