0 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 13.156 9.67164 14.144 9.36807 10.515 6.57017 8.81608 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 5.84314 5.8245 9.71516 6.33889 11.4878 5.80437 9.81658 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.84314 5.8245 9.81658 6.85412 8.27962 5.80437 9.71516 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.81627 8.26899 5.98837 5.61579 5.38524 7.03126 10.947 8.48255 14.2885 9.68228 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 5.61579 8.69057 7.03126 10.947 13.3401 14.2885 9.68228 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.64012 6.46761 5.24906 4.00553 9.08221 10.1478 10.5905 11.6697 13.9773 8.13051 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.64012 7.58407 5.11205 4.00553 9.08221 10.7327 10.5905 11.6697 15.7741 8.13051 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 9.4099 9.73139 5.24906 8.55984 9.08221 10.1478 15.9825 11.6697 13.9773 8.13051 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 9.4099 6.31428 5.11205 8.55984 9.08221 10.7327 15.9825 11.6697 15.7741 8.13051 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 10.4226 12.3903 6.31884 6.1906 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 5.69391 9.55118 5.4605 10.4676 7.17489 4.64409 6.7272 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.96708 6.77912 7.11552 13.4212 9.10345 10.8476 10.4676 7.17489 4.64409 7.64009 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 9.78528 9.02278 11.6894 9.78221 9.55118 16.0371 11.9814 7.11552 15.2764 5.4605 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 9.78528 9.02278 11.6894 9.78221 9.55118 16.0371 15.7961 12.3903 21.0173 6.1906 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 9.78528 9.02278 11.6894 9.78221 9.55118 16.0371 13.3943 7.17489 17.8232 6.7272 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 9.78528 9.02278 11.6894 11.6634 9.10345 18.3118 13.3943 7.17489 17.8232 7.64009 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 9.33898 8.36431 10.9701 4.3481 7.06939 10.5758 11.9364 6.61299 16.4515 9.39807 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 6.95773 6.24825 10.8109 7.64585 10.2377 12.0796 7.65255 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.83991 8.66155 6.09023 6.01673 6.24825 10.8109 12.2309 10.2377 12.0796 7.65255 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 6.11741 6.99777 10.8292 6.07067 6.39384 12.9982 12.9821 10.7942 19.687 8.0168 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 6.11741 9.14376 6.12943 6.07067 6.39384 10.7985 12.9821 10.7942 12.4207 8.0168 numMergedOcc 0
21 mol 115 unq 4 iso 0 dist 7.88312 6.99777 11.7126 6.07067 9.42082 12.9982 12.9821 10.9739 19.687 8.0168 numMergedOcc 0
22 mol 115 unq 5 iso 0 dist 7.88312 9.14376 4.62962 6.07067 9.42082 10.7985 12.9821 10.9739 12.4207 8.0168 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 8.73993 9.63176 10.6679 9.68677 7.64052 9.08536 14.0269 10.0197 8.58342 6.13374 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 9.87172 9.38288 11.7228 6.20019 6.99446 12.4009 6.19042 6.35763 6.59581 6.13374 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 9.87172 9.38288 11.7228 6.20019 6.99446 12.4009 7.44174 7.36192 11.6138 9.08536 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 9.87172 6.19042 6.35763 6.20019 6.99446 6.13374 7.44174 7.36192 8.58342 9.08536 numMergedOcc 0
27 mol 119 unq 4 iso 0 dist 9.87172 7.44174 7.36192 6.20019 6.99446 9.08536 6.19042 6.35763 8.58342 6.13374 numMergedOcc 0
28 mol 119 unq 5 iso 0 dist 6.18601 9.80862 9.35964 4.39676 8.95212 9.56225 8.43904 10.3457 4.84196 6.13374 numMergedOcc 0
29 mol 119 unq 6 iso 0 dist 6.18601 9.80862 9.35964 4.39676 8.95212 9.56225 13.4411 16.7975 13.2865 9.08536 numMergedOcc 0
30 mol 119 unq 7 iso 0 dist 6.18601 8.43904 10.3457 4.39676 8.95212 6.13374 13.4411 16.7975 8.58342 9.08536 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 8.00618 7.92688 12.2037 15.0115 8.77023 16.243 16.3407 9.53782 16.6155 8.55349 numMergedOcc 0
32 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.41373 9.33094 11.7151 11.2292 5.3585 9.57049 7.43401 numMergedOcc 0
33 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 10.8635 9.33094 11.7151 10.9613 5.3585 9.57049 7.43401 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 6.49416 8.6355 5.41704 12.3479 9.33094 11.7151 10.9685 5.3585 9.57049 7.43401 numMergedOcc 0
35 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 12.8086 9.1998 14.0978 11.2292 6.74887 9.57049 6.44575 numMergedOcc 0
36 mol 134 unq 4 iso 0 dist 9.86662 8.79571 6.17103 7.41373 8.69531 11.7151 11.2292 6.74887 9.57049 7.43401 numMergedOcc 0
37 mol 134 unq 5 iso 0 dist 9.71307 5.42582 6.17103 15.0225 9.1998 14.0978 10.9613 6.74887 9.57049 6.44575 numMergedOcc 0
38 mol 134 unq 6 iso 0 dist 9.71307 5.42582 6.17103 10.8635 8.69531 11.7151 10.9613 6.74887 9.57049 7.43401 numMergedOcc 0
39 mol 155 unq 0 iso 0 dist 7.46303 9.17284 6.3437 9.16779 8.97626 13.5963 15.9495 12.8482 18.0659 7.29911 numMergedOcc 0
40 mol 155 unq 1 iso 0 dist 7.46303 9.17284 6.3437 9.16779 8.97626 13.5963 12.1081 8.27726 12.644 5.36254 numMergedOcc 0
41 mol 155 unq 2 iso 0 dist 6.43582 9.38946 12.8482 4.91785 8.97626 7.29911 7.36102 8.27726 5.68272 5.36254 numMergedOcc 0
42 mol 155 unq 3 iso 0 dist 6.43582 7.36102 8.27726 4.91785 8.97626 5.36254 9.38946 12.8482 5.68272 7.29911 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 7.63312 6.93764 4.80231 10.6474 6.64173 10.9785 10.1232 6.7991 9.99424 9.09234 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 7.63312 6.93764 4.80231 5.93724 9.01624 10.1634 10.1232 6.7991 9.99424 6.76746 numMergedOcc 0
45 mol 181 unq 2 iso 0 dist 7.63312 6.93764 4.80231 5.12833 9.55105 10.9567 10.1232 6.7991 9.99424 8.92098 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 6.61986 8.19953 10.7113 5.13732 8.08349 5.73591 11.5717 11.4491 4.74813 8.55345 numMergedOcc 0
47 mol 238 unq 0 iso 0 dist 6.22714 7.49471 5.17471 12.7938 9.08509 5.43613 10.9946 5.03393 6.34909 7.06768 numMergedOcc 0
48 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 11.0772 9.08509 14.4363 7.19008 5.17471 12.1411 5.43613 numMergedOcc 0
49 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 11.0772 9.08509 14.4363 11.3465 5.03393 13.7867 7.06768 numMergedOcc 0
50 mol 238 unq 3 iso 0 dist 7.31233 7.02475 11.2717 11.0772 9.08509 10.529 7.19008 5.17471 10.1756 5.43613 numMergedOcc 0
51 mol 238 unq 4 iso 0 dist 7.31233 7.02475 11.2717 11.0772 9.08509 10.529 11.3465 5.03393 13.0634 7.06768 numMergedOcc 0
52 mol 238 unq 5 iso 0 dist 7.31233 7.67322 12.6986 11.0772 9.08509 9.99105 7.19008 5.17471 9.50847 5.43613 numMergedOcc 0
53 mol 238 unq 6 iso 0 dist 7.31233 7.67322 12.6986 11.0772 9.08509 9.99105 11.3465 5.03393 14.4744 7.06768 numMergedOcc 0
54 mol 238 unq 7 iso 0 dist 7.31233 7.19008 5.17471 11.0772 9.08509 5.43613 11.3465 5.03393 6.34909 7.06768 numMergedOcc 0
