0 mol 0 unq 0 iso 0 dist 7.65806 9.72725 6.0225 10.5877 10.5603 5.88757 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.72725 6.0225 14.2251 10.4406 8.66548 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 6.06176 6.36911 8.81608 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 7.10621 9.67164 13.156 10.515 9.36807 8.81608 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 5.8245 5.84314 8.27962 6.85412 9.71516 numMergedOcc 0
5 mol 9 unq 1 iso 0 dist 8.57077 5.8245 5.84314 11.4878 6.33889 9.81658 numMergedOcc 0
6 mol 18 unq 0 iso 0 dist 9.51761 5.65084 12.6536 7.04695 12.3965 5.04478 numMergedOcc 0
7 mol 18 unq 1 iso 0 dist 7.3094 5.65084 9.36767 7.04695 12.8594 5.04478 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 4.70708 9.43699 8.53931 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 7.57578 9.48085 5.18617 12.1492 12.8446 8.53931 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 7.17969 9.48085 5.68041 12.1492 11.7303 8.53931 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.98837 8.26899 7.03126 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 6.81627 5.38524 5.61579 8.48255 10.947 9.68228 numMergedOcc 0
13 mol 58 unq 2 iso 0 dist 7.32874 8.69057 5.61579 4.55117 8.26899 7.03126 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 7.32874 8.69057 5.61579 13.3401 10.947 9.68228 numMergedOcc 0
15 mol 58 unq 4 iso 0 dist 6.64012 9.08221 4.00553 11.6697 10.5905 8.13051 numMergedOcc 0
16 mol 58 unq 5 iso 0 dist 9.4099 9.08221 8.55984 11.6697 15.9825 8.13051 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 9.0131 13.3133 9.14817 numMergedOcc 0
18 mol 72 unq 1 iso 0 dist 9.96708 7.12321 7.47371 9.0131 7.321 9.14817 numMergedOcc 0
19 mol 72 unq 2 iso 0 dist 9.96708 9.55118 5.69391 7.11552 6.77912 5.4605 numMergedOcc 0
20 mol 72 unq 3 iso 0 dist 9.96708 9.55118 5.69391 12.3903 10.4226 6.1906 numMergedOcc 0
21 mol 72 unq 4 iso 0 dist 9.96708 9.55118 5.69391 7.17489 10.4676 6.7272 numMergedOcc 0
22 mol 72 unq 5 iso 0 dist 9.96708 9.10345 13.4212 7.17489 10.4676 7.64009 numMergedOcc 0
23 mol 72 unq 6 iso 0 dist 9.78528 6.21799 7.47371 6.11922 7.321 9.14817 numMergedOcc 0
24 mol 72 unq 7 iso 0 dist 9.78528 5.03251 9.67587 6.11922 7.321 9.76686 numMergedOcc 0
25 mol 72 unq 8 iso 0 dist 9.78528 7.66093 7.07356 6.11922 7.321 9.437 numMergedOcc 0
26 mol 72 unq 9 iso 0 dist 9.78528 9.55118 9.78221 7.11552 11.9814 5.4605 numMergedOcc 0
27 mol 72 unq 10 iso 0 dist 9.78528 9.55118 9.78221 12.3903 15.7961 6.1906 numMergedOcc 0
28 mol 72 unq 11 iso 0 dist 9.78528 9.55118 9.78221 7.17489 13.3943 6.7272 numMergedOcc 0
29 mol 72 unq 12 iso 0 dist 9.78528 9.10345 11.6634 7.17489 13.3943 7.64009 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 6.61299 11.9364 9.39807 numMergedOcc 0
31 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.70415 10.417 6.61111 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 6.48948 5.92242 3.9764 9.74284 10.417 6.61111 numMergedOcc 0
33 mol 98 unq 2 iso 0 dist 6.10456 7.54889 10.4782 10.0962 10.417 4.44979 numMergedOcc 0
34 mol 98 unq 3 iso 0 dist 6.10456 5.2571 3.9764 10.0962 10.417 6.61111 numMergedOcc 0
35 mol 115 unq 0 iso 0 dist 7.30858 9.42082 15.3161 10.9739 17.6696 8.0168 numMergedOcc 0
36 mol 115 unq 1 iso 0 dist 9.33865 6.39384 6.63111 10.7942 7.76729 8.0168 numMergedOcc 0
37 mol 115 unq 2 iso 0 dist 9.33865 6.24825 6.95773 10.2377 7.64585 7.65255 numMergedOcc 0
38 mol 115 unq 3 iso 0 dist 5.83991 9.42082 6.63111 10.9739 7.76729 8.0168 numMergedOcc 0
39 mol 115 unq 4 iso 0 dist 5.83991 6.24825 6.01673 10.2377 12.2309 7.65255 numMergedOcc 0
40 mol 115 unq 5 iso 0 dist 6.11741 6.39384 6.07067 10.7942 12.9821 8.0168 numMergedOcc 0
41 mol 115 unq 6 iso 0 dist 7.88312 9.42082 6.07067 10.9739 12.9821 8.0168 numMergedOcc 0
42 mol 117 unq 0 iso 0 dist 7.90328 8.84018 7.20875 4.91401 6.62561 9.94053 numMergedOcc 0
43 mol 117 unq 1 iso 0 dist 7.83136 8.84018 3.77029 4.91401 7.63616 9.94053 numMergedOcc 0
44 mol 117 unq 2 iso 0 dist 7.0603 8.84018 5.21535 4.91401 10.6107 9.94053 numMergedOcc 0
45 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 10.0197 14.0269 6.13374 numMergedOcc 0
46 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 10.6679 9.63176 9.08536 numMergedOcc 0
47 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 6.35763 6.19042 6.13374 numMergedOcc 0
48 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 7.36192 7.44174 9.08536 numMergedOcc 0
49 mol 119 unq 4 iso 0 dist 6.18601 8.95212 4.39676 10.3457 8.43904 6.13374 numMergedOcc 0
50 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 16.7975 13.4411 9.08536 numMergedOcc 0
51 mol 133 unq 0 iso 0 dist 6.29155 8.77023 13.0405 9.53782 11.3058 8.55349 numMergedOcc 0
52 mol 133 unq 1 iso 0 dist 6.80239 8.77023 13.7612 9.53782 16.0613 8.55349 numMergedOcc 0
53 mol 133 unq 2 iso 0 dist 8.00618 8.77023 15.0115 9.53782 16.3407 8.55349 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 8.94367 9.33094 7.41373 5.3585 11.2292 7.43401 numMergedOcc 0
55 mol 134 unq 1 iso 0 dist 6.37586 9.33094 10.8635 5.3585 10.9613 7.43401 numMergedOcc 0
56 mol 134 unq 2 iso 0 dist 6.49416 9.33094 12.3479 5.3585 10.9685 7.43401 numMergedOcc 0
57 mol 134 unq 3 iso 0 dist 9.86662 9.1998 12.8086 6.74887 11.2292 6.44575 numMergedOcc 0
58 mol 134 unq 4 iso 0 dist 9.86662 8.69531 7.41373 6.74887 11.2292 7.43401 numMergedOcc 0
59 mol 134 unq 5 iso 0 dist 9.71307 9.1998 15.0225 6.74887 10.9613 6.44575 numMergedOcc 0
60 mol 134 unq 6 iso 0 dist 9.71307 8.69531 10.8635 6.74887 10.9613 7.43401 numMergedOcc 0
61 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 6.01455 9.27292 7.05845 numMergedOcc 0
62 mol 143 unq 1 iso 0 dist 5.99315 7.36975 13.1926 5.44503 9.93541 8.18023 numMergedOcc 0
63 mol 143 unq 2 iso 0 dist 5.99315 5.40637 7.39837 5.44503 9.93541 7.46803 numMergedOcc 0
64 mol 155 unq 0 iso 0 dist 7.46303 8.97626 9.16779 12.8482 15.9495 7.29911 numMergedOcc 0
65 mol 155 unq 1 iso 0 dist 7.46303 8.97626 9.16779 8.27726 12.1081 5.36254 numMergedOcc 0
66 mol 155 unq 2 iso 0 dist 6.43582 8.97626 4.91785 12.8482 9.38946 7.29911 numMergedOcc 0
67 mol 155 unq 3 iso 0 dist 6.43582 8.97626 4.91785 8.27726 7.36102 5.36254 numMergedOcc 0
68 mol 167 unq 0 iso 0 dist 9.87651 7.20495 7.87971 6.36909 15.1367 9.1326 numMergedOcc 0
69 mol 167 unq 1 iso 0 dist 9.87651 7.02548 11.6011 6.36909 15.1367 7.30954 numMergedOcc 0
70 mol 181 unq 0 iso 0 dist 7.81386 6.64173 6.8757 6.7991 4.93785 9.09234 numMergedOcc 0
71 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 6.7991 4.93785 6.76746 numMergedOcc 0
72 mol 181 unq 2 iso 0 dist 7.81386 9.55105 5.83796 6.7991 4.93785 8.92098 numMergedOcc 0
73 mol 181 unq 3 iso 0 dist 7.63312 6.64173 10.6474 6.7991 10.1232 9.09234 numMergedOcc 0
74 mol 181 unq 4 iso 0 dist 7.63312 9.01624 5.93724 6.7991 10.1232 6.76746 numMergedOcc 0
75 mol 181 unq 5 iso 0 dist 7.63312 9.55105 5.12833 6.7991 10.1232 8.92098 numMergedOcc 0
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77 mol 214 unq 1 iso 0 dist 7.14453 7.46481 8.459 6.67959 12.6888 8.70987 numMergedOcc 0
78 mol 214 unq 2 iso 0 dist 8.85478 7.46481 11.1534 6.67959 7.46831 8.70987 numMergedOcc 0
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80 mol 224 unq 1 iso 0 dist 6.61986 8.08349 5.13732 11.4491 11.5717 8.55345 numMergedOcc 0
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82 mol 234 unq 1 iso 0 dist 9.45496 7.81215 12.4252 15.015 21.615 9.49229 numMergedOcc 0
83 mol 234 unq 2 iso 0 dist 9.45496 7.81215 12.4252 12.1076 17.6567 7.20293 numMergedOcc 0
84 mol 234 unq 3 iso 0 dist 6.7625 7.81215 5.75498 5.56749 10.8628 9.11572 numMergedOcc 0
85 mol 234 unq 4 iso 0 dist 6.7625 7.81215 5.75498 15.015 15.1691 9.49229 numMergedOcc 0
86 mol 234 unq 5 iso 0 dist 6.7625 7.81215 5.75498 12.1076 12.6312 7.20293 numMergedOcc 0
87 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 15.5674 15.9735 9.84652 numMergedOcc 0
88 mol 238 unq 1 iso 0 dist 6.22714 9.08509 12.7938 5.17471 7.49471 5.43613 numMergedOcc 0
89 mol 238 unq 2 iso 0 dist 6.22714 9.08509 12.7938 5.03393 10.9946 7.06768 numMergedOcc 0
90 mol 238 unq 3 iso 0 dist 7.31233 9.12776 10.3162 8.82861 9.38422 9.84652 numMergedOcc 0
91 mol 238 unq 4 iso 0 dist 7.31233 9.08509 11.0772 5.17471 7.19008 5.43613 numMergedOcc 0
92 mol 238 unq 5 iso 0 dist 7.31233 9.08509 11.0772 5.03393 11.3465 7.06768 numMergedOcc 0
93 mol 248 unq 0 iso 0 dist 7.69895 9.05018 4.58289 6.48757 6.07192 5.0345 numMergedOcc 0
94 mol 259 unq 0 iso 0 dist 7.46176 5.85442 10.067 5.79468 7.48005 6.23661 numMergedOcc 0
95 mol 259 unq 1 iso 0 dist 5.30224 8.03219 4.04513 5.31048 8.37865 8.84648 numMergedOcc 0
96 mol 259 unq 2 iso 0 dist 5.30224 6.9899 7.09907 5.31048 8.37865 6.23661 numMergedOcc 0
97 mol 272 unq 0 iso 0 dist 8.48753 6.44147 5.12237 6.64985 7.67853 8.84523 numMergedOcc 0
