0 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 5.61579 5.38524 8.69057 8.26899 5.98837 4.55117 7.03126 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 6.81627 7.32874 5.47421 5.61579 5.38524 8.69057 10.947 8.48255 13.3401 9.68228 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 6.81627 9.55426 9.7274 5.61579 5.38524 13.1897 8.26899 5.98837 10.3782 7.03126 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 6.81627 9.55426 9.7274 5.61579 5.38524 13.1897 10.947 8.48255 15.1856 9.68228 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 7.32874 6.81627 5.47421 5.61579 8.69057 5.38524 8.26899 4.55117 5.98837 7.03126 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 7.32874 6.81627 5.47421 5.61579 8.69057 5.38524 10.947 13.3401 8.48255 9.68228 numMergedOcc 0
6 mol 58 unq 6 iso 0 dist 7.32874 9.55426 5.90225 5.61579 8.69057 13.1897 8.26899 4.55117 10.3782 7.03126 numMergedOcc 0
7 mol 58 unq 7 iso 0 dist 7.32874 9.55426 5.90225 5.61579 8.69057 13.1897 10.947 13.3401 15.1856 9.68228 numMergedOcc 0
8 mol 58 unq 8 iso 0 dist 9.4099 9.55426 10.6169 8.55984 9.08221 15.6595 15.9825 11.6697 20.434 8.13051 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 5.69391 9.55118 13.6019 6.77912 7.11552 12.0644 5.4605 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 5.69391 9.55118 13.6019 10.4226 12.3903 17.86 6.1906 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 9.96708 8.8178 10.7394 5.69391 9.55118 13.6019 10.4676 7.17489 15.5932 6.7272 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 9.96708 8.8178 10.7394 13.4212 9.10345 18.0706 10.4676 7.17489 15.5932 7.64009 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 9.96708 9.78528 8.24309 7.47371 7.12321 6.21799 7.321 9.0131 6.11922 9.14817 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 9.78528 9.96708 8.24309 7.47371 6.21799 7.12321 7.321 6.11922 9.0131 9.14817 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 9.78528 9.96708 8.24309 9.67587 5.03251 9.35457 7.321 6.11922 9.0131 9.76686 numMergedOcc 0
16 mol 72 unq 7 iso 0 dist 9.78528 9.96708 8.24309 7.07356 7.66093 12.1131 7.321 6.11922 9.0131 9.437 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 4.3481 7.06939 12.4681 11.9364 6.61299 13.4125 9.39807 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 10.417 8.70415 9.74284 6.61111 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 10.417 8.70415 10.0962 6.61111 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 10.417 9.74284 8.70415 6.61111 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 10.417 9.74284 10.0962 6.61111 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 10.417 10.0962 8.70415 4.44979 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 10.417 10.0962 8.70415 6.61111 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 10.417 10.0962 9.74284 4.44979 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 10.417 10.0962 9.74284 6.61111 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 6.95773 6.24825 10.0255 7.64585 10.2377 10.8939 7.65255 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 6.63111 6.39384 9.42082 7.76729 10.7942 10.9739 8.0168 numMergedOcc 0
28 mol 115 unq 2 iso 0 dist 5.83991 7.30858 10.8507 6.01673 6.24825 13.22 12.2309 10.2377 19.2193 7.65255 numMergedOcc 0
29 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 6.01673 6.24825 10.0255 12.2309 10.2377 10.8939 7.65255 numMergedOcc 0
30 mol 115 unq 4 iso 0 dist 5.83991 9.33865 7.69052 6.63111 9.42082 6.39384 7.76729 10.9739 10.7942 8.0168 numMergedOcc 0
31 mol 115 unq 5 iso 0 dist 6.11741 7.88312 7.69052 6.07067 6.39384 9.42082 12.9821 10.7942 10.9739 8.0168 numMergedOcc 0
32 mol 115 unq 6 iso 0 dist 7.88312 6.11741 7.69052 6.07067 9.42082 6.39384 12.9821 10.9739 10.7942 8.0168 numMergedOcc 0
33 mol 117 unq 0 iso 0 dist 7.90328 9.84395 13.1058 7.20875 8.84018 16.804 6.62561 4.91401 11.3679 9.94053 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 8.00618 7.11802 8.18495 15.0115 8.77023 12.5855 16.3407 9.53782 12.0863 8.55349 numMergedOcc 0
35 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.41373 9.33094 8.69531 11.2292 5.3585 6.74887 7.43401 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 6.37586 9.71307 6.81259 10.8635 9.33094 8.69531 10.9613 5.3585 6.74887 7.43401 numMergedOcc 0
37 mol 134 unq 2 iso 0 dist 6.49416 6.54501 5.00526 12.3479 9.33094 11.2896 10.9685 5.3585 6.69989 7.43401 numMergedOcc 0
38 mol 134 unq 3 iso 0 dist 9.86662 8.94367 6.81259 12.8086 9.1998 11.0808 11.2292 6.74887 5.3585 6.44575 numMergedOcc 0
39 mol 134 unq 4 iso 0 dist 9.86662 8.94367 6.81259 7.41373 8.69531 9.33094 11.2292 6.74887 5.3585 7.43401 numMergedOcc 0
40 mol 134 unq 5 iso 0 dist 9.71307 6.37586 6.81259 15.0225 9.1998 11.0808 10.9613 6.74887 5.3585 6.44575 numMergedOcc 0
41 mol 134 unq 6 iso 0 dist 9.71307 6.37586 6.81259 10.8635 8.69531 9.33094 10.9613 6.74887 5.3585 7.43401 numMergedOcc 0
42 mol 155 unq 0 iso 0 dist 7.46303 6.23493 5.71071 9.16779 8.97626 12.9034 15.9495 12.8482 18.174 7.29911 numMergedOcc 0
43 mol 155 unq 1 iso 0 dist 7.46303 6.23493 5.71071 9.16779 8.97626 12.9034 12.1081 8.27726 13.5062 5.36254 numMergedOcc 0
44 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 5.13732 8.08349 11.2501 8.19953 10.7113 8.64911 5.73591 numMergedOcc 0
45 mol 224 unq 1 iso 0 dist 6.61986 9.40098 9.54151 5.13732 8.08349 11.2501 11.5717 11.4491 9.74155 8.55345 numMergedOcc 0
46 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 12.4252 7.81215 11.6391 15.004 5.56749 10.6156 9.11572 numMergedOcc 0
47 mol 234 unq 1 iso 0 dist 9.45496 6.56247 5.88703 12.4252 7.81215 11.6391 21.615 15.015 19.266 9.49229 numMergedOcc 0
48 mol 234 unq 2 iso 0 dist 9.45496 6.56247 5.88703 12.4252 7.81215 11.6391 17.6567 12.1076 15.0456 7.20293 numMergedOcc 0
49 mol 234 unq 3 iso 0 dist 6.7625 9.36357 5.88703 5.75498 7.81215 11.6391 10.8628 5.56749 10.6156 9.11572 numMergedOcc 0
50 mol 234 unq 4 iso 0 dist 6.7625 9.36357 5.88703 5.75498 7.81215 11.6391 15.1691 15.015 19.266 9.49229 numMergedOcc 0
51 mol 234 unq 5 iso 0 dist 6.7625 9.36357 5.88703 5.75498 7.81215 11.6391 12.6312 12.1076 15.0456 7.20293 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 10.3162 9.12776 8.69015 9.38422 8.82861 12.1252 9.84652 numMergedOcc 0
53 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 4.58289 9.05018 9.33962 6.07192 6.48757 5.51827 5.0345 numMergedOcc 0
54 mol 248 unq 1 iso 0 dist 7.69895 8.2965 10.8081 4.58289 9.05018 11.4547 6.07192 6.48757 9.29921 5.0345 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 10.067 5.85442 10.3406 7.48005 5.79468 11.6195 6.23661 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 7.46176 7.84554 7.64658 10.067 5.85442 12.8546 7.48005 5.79468 11.8736 6.23661 numMergedOcc 0
57 mol 259 unq 2 iso 0 dist 7.46176 9.18903 10.5239 10.067 5.85442 16.0301 7.48005 5.79468 12.6649 6.23661 numMergedOcc 0
