0 mol 18 unq 0 iso 0 dist 9.51761 7.3094 9.70492 5.65084 12.6536 9.36767 7.04695 12.3965 12.8594 5.04478 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.3094 9.51761 9.70492 5.65084 9.36767 12.6536 7.04695 12.8594 12.3965 5.04478 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 12.1492 12.8446 11.7303 8.53931 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 12.1492 11.7303 12.8446 8.53931 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.64012 9.4099 6.47414 9.08221 4.00553 8.55984 11.6697 10.5905 15.9825 8.13051 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 9.4099 6.64012 6.47414 9.08221 8.55984 4.00553 11.6697 15.9825 10.5905 8.13051 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 7.12321 4.27726 7.47371 9.0131 13.3133 7.321 9.14817 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 7.12321 7.47371 4.27726 9.0131 7.321 13.3133 9.14817 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 7.11552 6.77912 11.9814 5.4605 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 9.78528 9.96708 8.24309 9.55118 9.78221 5.69391 7.11552 11.9814 6.77912 5.4605 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 12.3903 10.4226 15.7961 6.1906 numMergedOcc 0
11 mol 72 unq 2 iso 1 dist 9.78528 9.96708 8.24309 9.55118 9.78221 5.69391 12.3903 15.7961 10.4226 6.1906 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 9.96708 9.78528 8.24309 9.55118 5.69391 9.78221 7.17489 10.4676 13.3943 6.7272 numMergedOcc 0
13 mol 72 unq 3 iso 1 dist 9.78528 9.96708 8.24309 9.55118 9.78221 5.69391 7.17489 13.3943 10.4676 6.7272 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 9.96708 9.78528 8.24309 9.10345 13.4212 11.6634 7.17489 10.4676 13.3943 7.64009 numMergedOcc 0
15 mol 72 unq 4 iso 1 dist 9.78528 9.96708 8.24309 9.10345 11.6634 13.4212 7.17489 13.3943 10.4676 7.64009 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 9.42082 15.3161 6.63111 10.9739 17.6696 7.76729 8.0168 numMergedOcc 0
17 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 9.42082 6.63111 15.3161 10.9739 7.76729 17.6696 8.0168 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 9.42082 15.3161 6.07067 10.9739 17.6696 12.9821 8.0168 numMergedOcc 0
19 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 9.42082 6.07067 15.3161 10.9739 12.9821 17.6696 8.0168 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 6.39384 6.63111 6.07067 10.7942 7.76729 12.9821 8.0168 numMergedOcc 0
21 mol 115 unq 2 iso 1 dist 6.11741 9.33865 8.02349 6.39384 6.07067 6.63111 10.7942 12.9821 7.76729 8.0168 numMergedOcc 0
22 mol 115 unq 3 iso 0 dist 9.33865 5.83991 7.69052 6.24825 6.95773 6.01673 10.2377 7.64585 12.2309 7.65255 numMergedOcc 0
23 mol 115 unq 3 iso 1 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 10.2377 12.2309 7.64585 7.65255 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 9.42082 6.63111 6.07067 10.9739 7.76729 12.9821 8.0168 numMergedOcc 0
25 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 9.42082 6.07067 6.63111 10.9739 12.9821 7.76729 8.0168 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 8.84018 7.20875 3.77029 4.91401 6.62561 7.63616 9.94053 numMergedOcc 0
27 mol 117 unq 0 iso 1 dist 7.83136 7.90328 7.22206 8.84018 3.77029 7.20875 4.91401 7.63616 6.62561 9.94053 numMergedOcc 0
28 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 8.84018 7.20875 5.21535 4.91401 6.62561 10.6107 9.94053 numMergedOcc 0
29 mol 117 unq 1 iso 1 dist 7.0603 7.90328 9.3584 8.84018 5.21535 7.20875 4.91401 10.6107 6.62561 9.94053 numMergedOcc 0
30 mol 117 unq 1 iso 0 dist 7.83136 7.0603 7.21564 8.84018 3.77029 5.21535 4.91401 7.63616 10.6107 9.94053 numMergedOcc 0
31 mol 117 unq 1 iso 1 dist 7.0603 7.83136 7.21564 8.84018 5.21535 3.77029 4.91401 10.6107 7.63616 9.94053 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 8.77023 13.0405 13.7612 9.53782 11.3058 16.0613 8.55349 numMergedOcc 0
33 mol 133 unq 0 iso 1 dist 6.80239 6.29155 7.81217 8.77023 13.7612 13.0405 9.53782 16.0613 11.3058 8.55349 numMergedOcc 0
34 mol 133 unq 1 iso 0 dist 6.29155 8.00618 11.965 8.77023 13.0405 15.0115 9.53782 11.3058 16.3407 8.55349 numMergedOcc 0
35 mol 133 unq 1 iso 1 dist 8.00618 6.29155 11.965 8.77023 15.0115 13.0405 9.53782 16.3407 11.3058 8.55349 numMergedOcc 0
36 mol 133 unq 1 iso 0 dist 6.80239 8.00618 7.79672 8.77023 13.7612 15.0115 9.53782 16.0613 16.3407 8.55349 numMergedOcc 0
37 mol 133 unq 1 iso 1 dist 8.00618 6.80239 7.79672 8.77023 15.0115 13.7612 9.53782 16.3407 16.0613 8.55349 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 9.33094 7.41373 10.8635 5.3585 11.2292 10.9613 7.43401 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 9.33094 10.8635 7.41373 5.3585 10.9613 11.2292 7.43401 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 5.3585 11.2292 10.9685 7.43401 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 5.3585 10.9685 11.2292 7.43401 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 5.3585 10.9613 10.9685 7.43401 numMergedOcc 0
43 mol 134 unq 1 iso 1 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 5.3585 10.9685 10.9613 7.43401 numMergedOcc 0
44 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 6.74887 11.2292 10.9613 6.44575 numMergedOcc 0
45 mol 134 unq 2 iso 1 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 6.74887 10.9613 11.2292 6.44575 numMergedOcc 0
46 mol 134 unq 3 iso 0 dist 9.86662 9.71307 5.49782 8.69531 7.41373 10.8635 6.74887 11.2292 10.9613 7.43401 numMergedOcc 0
47 mol 134 unq 3 iso 1 dist 9.71307 9.86662 5.49782 8.69531 10.8635 7.41373 6.74887 10.9613 11.2292 7.43401 numMergedOcc 0
48 mol 155 unq 0 iso 0 dist 7.46303 6.43582 7.66392 8.97626 9.16779 4.91785 12.8482 15.9495 9.38946 7.29911 numMergedOcc 0
49 mol 155 unq 0 iso 1 dist 6.43582 7.46303 7.66392 8.97626 4.91785 9.16779 12.8482 9.38946 15.9495 7.29911 numMergedOcc 0
50 mol 155 unq 1 iso 0 dist 7.46303 6.43582 7.66392 8.97626 9.16779 4.91785 8.27726 12.1081 7.36102 5.36254 numMergedOcc 0
51 mol 155 unq 1 iso 1 dist 6.43582 7.46303 7.66392 8.97626 4.91785 9.16779 8.27726 7.36102 12.1081 5.36254 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 6.64173 6.8757 10.6474 6.7991 4.93785 10.1232 9.09234 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 6.64173 10.6474 6.8757 6.7991 10.1232 4.93785 9.09234 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 7.81386 7.63312 8.85576 9.01624 5.71898 5.93724 6.7991 4.93785 10.1232 6.76746 numMergedOcc 0
55 mol 181 unq 1 iso 1 dist 7.63312 7.81386 8.85576 9.01624 5.93724 5.71898 6.7991 10.1232 4.93785 6.76746 numMergedOcc 0
56 mol 181 unq 2 iso 0 dist 7.81386 7.63312 8.85576 9.55105 5.83796 5.12833 6.7991 4.93785 10.1232 8.92098 numMergedOcc 0
57 mol 181 unq 2 iso 1 dist 7.63312 7.81386 8.85576 9.55105 5.12833 5.83796 6.7991 10.1232 4.93785 8.92098 numMergedOcc 0
58 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 7.46481 11.4955 8.459 6.67959 10.852 12.6888 8.70987 numMergedOcc 0
59 mol 214 unq 0 iso 1 dist 7.14453 9.65138 9.10746 7.46481 8.459 11.4955 6.67959 12.6888 10.852 8.70987 numMergedOcc 0
60 mol 214 unq 1 iso 0 dist 9.65138 8.85478 4.40923 7.46481 11.4955 11.1534 6.67959 10.852 7.46831 8.70987 numMergedOcc 0
61 mol 214 unq 1 iso 1 dist 8.85478 9.65138 4.40923 7.46481 11.1534 11.4955 6.67959 7.46831 10.852 8.70987 numMergedOcc 0
62 mol 214 unq 1 iso 0 dist 7.14453 8.85478 11.3796 7.46481 8.459 11.1534 6.67959 12.6888 7.46831 8.70987 numMergedOcc 0
63 mol 214 unq 1 iso 1 dist 8.85478 7.14453 11.3796 7.46481 11.1534 8.459 6.67959 7.46831 12.6888 8.70987 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 5.56749 15.004 10.8628 9.11572 numMergedOcc 0
65 mol 234 unq 0 iso 1 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 5.56749 10.8628 15.004 9.11572 numMergedOcc 0
66 mol 234 unq 1 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 15.015 21.615 15.1691 9.49229 numMergedOcc 0
67 mol 234 unq 1 iso 1 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 15.015 15.1691 21.615 9.49229 numMergedOcc 0
68 mol 234 unq 2 iso 0 dist 9.45496 6.7625 7.82322 7.81215 12.4252 5.75498 12.1076 17.6567 12.6312 7.20293 numMergedOcc 0
69 mol 234 unq 2 iso 1 dist 6.7625 9.45496 7.82322 7.81215 5.75498 12.4252 12.1076 12.6312 17.6567 7.20293 numMergedOcc 0
70 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 9.08509 12.7938 11.0772 5.17471 7.49471 7.19008 5.43613 numMergedOcc 0
71 mol 238 unq 0 iso 1 dist 7.31233 6.22714 5.34096 9.08509 11.0772 12.7938 5.17471 7.19008 7.49471 5.43613 numMergedOcc 0
72 mol 238 unq 1 iso 0 dist 6.22714 7.31233 5.34096 9.08509 12.7938 11.0772 5.03393 10.9946 11.3465 7.06768 numMergedOcc 0
73 mol 238 unq 1 iso 1 dist 7.31233 6.22714 5.34096 9.08509 11.0772 12.7938 5.03393 11.3465 10.9946 7.06768 numMergedOcc 0
