0 mol 16 unq 0 iso 0 dist 6.31718 5.05803 6.92781 10.8455 7.63133 12.5273 5.01101 11.0298 6.42835 15.1441 11.6856 16.4761 10.2656 21.9871 7.65889 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 9.55426 6.81627 9.7274 10.6169 9.4099 15.2973 5.61579 13.1897 5.38524 15.561 11.715 14.4309 5.79773 20.9207 8.66539 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 9.55426 6.81627 9.7274 10.6169 9.4099 15.2973 5.61579 13.1897 5.38524 15.561 7.32874 5.90225 5.47421 11.396 8.69057 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 9.55426 7.32874 5.90225 10.6169 9.4099 11.396 5.61579 13.1897 8.69057 15.561 11.715 14.4309 10.8779 20.9207 8.66539 numMergedOcc 0
4 mol 58 unq 3 iso 0 dist 9.55426 7.32874 5.90225 10.6169 9.4099 11.396 5.61579 13.1897 8.69057 15.561 6.81627 9.7274 5.47421 15.2973 5.38524 numMergedOcc 0
5 mol 58 unq 4 iso 0 dist 9.55426 9.4099 10.6169 9.7274 6.81627 15.2973 8.55984 15.6595 9.08221 18.0072 11.9025 11.6716 7.5247 17.1486 9.97769 numMergedOcc 0
6 mol 58 unq 5 iso 0 dist 9.55426 9.4099 10.6169 9.7274 6.81627 15.2973 8.55984 15.6595 9.08221 18.0072 14.7109 16.6757 10.0658 21.6551 9.32706 numMergedOcc 0
7 mol 58 unq 6 iso 0 dist 9.55426 9.4099 10.6169 5.90225 7.32874 11.396 8.55984 15.6595 9.08221 14.0406 11.9025 11.6716 7.5247 15.108 9.97769 numMergedOcc 0
8 mol 58 unq 7 iso 0 dist 9.55426 9.4099 10.6169 5.90225 7.32874 11.396 8.55984 15.6595 9.08221 14.0406 14.7109 16.6757 10.0658 18.98 9.32706 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 6.65595 8.90863 6.54743 4.73512 9.25011 10.0828 7.80499 7.57295 7.48086 5.6397 11.1899 5.67502 5.00018 12.4656 8.4312 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 6.65595 8.90863 6.54743 10.6819 6.43294 11.5843 7.80499 7.57295 7.48086 8.62476 11.1899 5.67502 5.00018 8.7531 8.4312 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 6.65595 8.90863 6.54743 8.93946 8.52121 12.4757 7.80499 7.57295 7.48086 6.55502 11.1899 5.67502 5.00018 11.6311 8.4312 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 6.43294 8.7531 5.67502 10.6819 6.65595 11.1899 8.62476 7.57295 8.4312 7.80499 11.5843 6.54743 5.00018 8.90863 7.48086 numMergedOcc 0
13 mol 60 unq 4 iso 0 dist 6.43294 8.7531 5.67502 11.3621 9.25011 12.4656 8.62476 7.57295 8.4312 5.6397 11.5843 6.54743 5.00018 10.0828 7.48086 numMergedOcc 0
14 mol 60 unq 5 iso 0 dist 6.43294 8.7531 5.67502 5.51199 8.52121 11.6311 8.62476 7.57295 8.4312 6.55502 11.5843 6.54743 5.00018 12.4757 7.48086 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 10.7394 8.8178 9.84449 7.47371 7.12321 6.21799 4.27726 10.8086 5.36766 7.04035 12.8385 9.74228 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 10.7394 8.8178 9.84449 9.67587 9.35457 5.03251 5.93202 15.1902 10.1538 5.8486 13.4854 9.56773 numMergedOcc 0
17 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 15.7123 9.38498 20.257 11.2069 13.3207 5.5087 19.0013 16.0098 18.8875 8.07446 24.0808 5.61588 numMergedOcc 0
18 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 15.7123 9.38498 20.257 10.6713 14.498 6.08682 21.9204 16.0098 18.8875 8.07446 24.0808 7.83244 numMergedOcc 0
19 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 12.016 9.75218 10.1207 11.2069 13.3207 5.5087 6.19168 16.0098 18.8875 8.07446 10.7428 5.61588 numMergedOcc 0
20 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 12.016 9.75218 10.1207 10.6713 14.498 6.08682 10.532 16.0098 18.8875 8.07446 10.7428 7.83244 numMergedOcc 0
21 mol 100 unq 0 iso 0 dist 9.35224 9.60661 7.80879 5.88134 6.56369 6.65086 4.03277 11.5088 8.91882 6.23008 10.1489 15.1999 10.8375 13.2001 9.21662 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 5.33144 6.45675 10.1409 6.23008 9.76432 8.91882 5.16579 13.2001 16.3949 10.8375 14.1071 9.21662 numMergedOcc 0
23 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 10.1407 8.86688 14.9102 6.23008 9.76432 8.91882 14.4607 13.2001 16.3949 10.8375 22.831 9.21662 numMergedOcc 0
24 mol 100 unq 3 iso 0 dist 6.56369 6.65086 7.80879 5.88134 9.35224 9.60661 6.23008 11.5088 8.91882 4.03277 13.2001 15.1999 10.8375 10.1489 9.21662 numMergedOcc 0
25 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 13.1058 9.84395 16.5575 3.55765 10.4223 8.19331 15.7476 7.0603 9.3584 7.21564 17.163 8.85711 numMergedOcc 0
26 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 13.1058 9.84395 17.163 3.55765 10.4223 8.85711 15.7476 7.83136 7.22206 7.21564 16.5575 8.19331 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.52634 7.24514 7.6656 9.56949 6.5107 12.0352 5.03174 13.5471 8.26547 14.5233 10.2995 12.4308 5.61668 16.0362 9.05342 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 5.79898 9.89303 9.93925 12.3479 11.2896 9.33094 10.6898 12.5075 11.3271 6.81259 14.423 8.69531 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 8.94367 9.86662 6.81259 5.49782 6.37586 9.71307 12.8086 11.0808 9.1998 15.0225 15.281 10.1584 11.6064 15.6507 6.42772 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 8.94367 9.86662 6.81259 5.49782 6.37586 9.71307 12.8086 11.0808 9.1998 15.0225 14.0375 13.4122 7.09823 15.9508 8.70621 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 8.94367 9.86662 6.81259 8.80819 6.49416 12.5075 12.8086 11.0808 9.1998 15.9138 15.281 10.1584 11.6064 14.6145 6.42772 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 8.94367 9.86662 6.81259 8.80819 6.49416 12.5075 12.8086 11.0808 9.1998 15.9138 14.0375 13.4122 7.09823 18.9682 8.70621 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 8.94367 6.37586 5.49782 6.81259 9.86662 9.71307 8.06642 7.21868 7.93372 4.00092 11.7385 5.62899 10.7144 11.3835 9.66543 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 6.37586 9.71307 6.81259 5.49782 8.94367 9.86662 15.0225 11.0808 9.1998 12.8086 15.6507 10.1584 11.6064 15.281 6.42772 numMergedOcc 0
35 mol 134 unq 7 iso 0 dist 6.37586 9.71307 6.81259 5.49782 8.94367 9.86662 15.0225 11.0808 9.1998 12.8086 15.9508 13.4122 7.09823 14.0375 8.70621 numMergedOcc 0
36 mol 134 unq 8 iso 0 dist 6.37586 9.71307 6.81259 5.00817 6.49416 12.5075 15.0225 11.0808 9.1998 15.9138 15.6507 10.1584 11.6064 14.6145 6.42772 numMergedOcc 0
37 mol 134 unq 9 iso 0 dist 6.37586 9.71307 6.81259 5.00817 6.49416 12.5075 15.0225 11.0808 9.1998 15.9138 15.9508 13.4122 7.09823 18.9682 8.70621 numMergedOcc 0
38 mol 134 unq 10 iso 0 dist 6.37586 8.94367 5.49782 6.81259 9.71307 9.86662 8.06642 7.93372 7.21868 4.00092 11.7385 10.7144 5.62899 11.3835 9.66543 numMergedOcc 0
39 mol 134 unq 11 iso 0 dist 6.49416 8.94367 8.80819 5.00526 6.54501 11.9139 8.06642 11.988 7.21868 12.847 11.7385 12.8168 5.62899 13.8307 9.66543 numMergedOcc 0
40 mol 134 unq 12 iso 0 dist 6.49416 8.94367 8.80819 5.00526 6.54501 11.9139 8.06642 11.988 7.21868 12.847 6.37586 5.00817 5.49782 9.5126 7.93372 numMergedOcc 0
41 mol 134 unq 13 iso 0 dist 6.49416 6.37586 5.00817 5.00526 6.54501 9.5126 8.06642 11.988 7.93372 12.847 11.7385 12.8168 10.7144 13.8307 9.66543 numMergedOcc 0
42 mol 134 unq 14 iso 0 dist 6.49416 6.37586 5.00817 5.00526 6.54501 9.5126 8.06642 11.988 7.93372 12.847 8.94367 8.80819 5.49782 11.9139 7.21868 numMergedOcc 0
43 mol 134 unq 15 iso 0 dist 9.86662 9.71307 5.49782 6.81259 8.94367 6.37586 4.00092 7.21868 7.93372 8.06642 11.3835 5.62899 10.7144 11.7385 9.66543 numMergedOcc 0
44 mol 134 unq 16 iso 0 dist 9.71307 9.86662 5.49782 6.81259 6.37586 8.94367 4.00092 7.93372 7.21868 8.06642 11.3835 10.7144 5.62899 11.7385 9.66543 numMergedOcc 0
45 mol 152 unq 0 iso 0 dist 8.87437 5.87555 5.49936 5.42328 7.16148 6.70283 4.94983 10.4895 6.70693 5.39112 10.399 10.6875 7.65448 8.56324 6.59889 numMergedOcc 0
46 mol 152 unq 1 iso 0 dist 8.87437 5.87555 5.49936 5.54906 8.05741 8.67331 4.94983 10.4895 6.70693 9.67475 10.399 10.6875 7.65448 14.1618 6.59889 numMergedOcc 0
47 mol 152 unq 2 iso 0 dist 7.16148 8.56324 10.6875 5.42328 8.87437 10.399 5.39112 10.4895 6.59889 4.94983 6.70283 5.49936 7.65448 5.87555 6.70693 numMergedOcc 0
48 mol 152 unq 3 iso 0 dist 7.16148 8.56324 10.6875 6.4896 8.05741 14.1618 5.39112 10.4895 6.59889 9.67475 6.70283 5.49936 7.65448 8.67331 6.70693 numMergedOcc 0
49 mol 152 unq 4 iso 0 dist 7.16148 6.70283 5.49936 5.42328 8.87437 5.87555 5.39112 10.4895 6.70693 4.94983 8.56324 10.6875 7.65448 10.399 6.59889 numMergedOcc 0
50 mol 152 unq 5 iso 0 dist 7.16148 6.70283 5.49936 6.4896 8.05741 8.67331 5.39112 10.4895 6.70693 9.67475 8.56324 10.6875 7.65448 14.1618 6.59889 numMergedOcc 0
51 mol 152 unq 6 iso 0 dist 8.05741 8.67331 5.49936 5.54906 8.87437 5.87555 9.67475 10.4895 6.70693 4.94983 14.1618 10.6875 7.65448 10.399 6.59889 numMergedOcc 0
52 mol 152 unq 7 iso 0 dist 8.05741 8.67331 5.49936 6.4896 7.16148 6.70283 9.67475 10.4895 6.70693 5.39112 14.1618 10.6875 7.65448 8.56324 6.59889 numMergedOcc 0
53 mol 181 unq 0 iso 0 dist 5.98885 9.1374 8.88798 10.1912 9.09537 15.0228 12.9532 13.2783 9.76212 12.7791 9.94371 12.6324 6.01247 16.2058 8.59874 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 8.87694 7.54065 5.74635 9.50685 9.09754 10.7914 11.0961 11.456 6.61112 12.4091 14.4482 10.3628 7.09479 16.8032 8.90571 numMergedOcc 0
55 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 5.0744 6.60589 9.16166 7.05804 8.79428 6.8692 5.76843 10.103 6.77699 11.328 6.65832 6.99769 numMergedOcc 0
56 mol 224 unq 1 iso 0 dist 6.60589 6.65832 6.77699 5.0744 6.57273 10.103 5.76843 8.79428 6.99769 7.05804 9.16166 8.49799 11.328 5.78342 6.8692 numMergedOcc 0
57 mol 224 unq 2 iso 0 dist 6.60589 9.16166 8.49799 5.0744 6.57273 5.78342 5.76843 8.79428 6.8692 7.05804 6.65832 6.77699 11.328 10.103 6.99769 numMergedOcc 0
58 mol 224 unq 3 iso 0 dist 5.78342 6.57273 8.49799 5.0744 9.16166 6.60589 7.05804 6.8692 8.79428 5.76843 10.103 11.328 6.77699 6.65832 6.99769 numMergedOcc 0
59 mol 224 unq 4 iso 0 dist 5.78342 6.57273 8.49799 5.60236 5.81334 10.5128 7.05804 6.8692 8.79428 4.54188 10.103 11.328 6.77699 10.9745 6.99769 numMergedOcc 0
60 mol 224 unq 5 iso 0 dist 9.16166 6.65832 11.328 5.0744 5.78342 10.103 5.76843 6.8692 6.99769 7.05804 6.60589 8.49799 6.77699 6.57273 8.79428 numMergedOcc 0
61 mol 224 unq 6 iso 0 dist 9.16166 6.65832 11.328 6.91102 5.81334 10.9745 5.76843 6.8692 6.99769 4.54188 6.60589 8.49799 6.77699 10.5128 8.79428 numMergedOcc 0
62 mol 224 unq 7 iso 0 dist 9.16166 6.60589 8.49799 5.0744 5.78342 6.57273 5.76843 6.8692 8.79428 7.05804 6.65832 11.328 6.77699 10.103 6.99769 numMergedOcc 0
63 mol 224 unq 8 iso 0 dist 9.16166 6.60589 8.49799 6.91102 5.81334 10.5128 5.76843 6.8692 8.79428 4.54188 6.65832 11.328 6.77699 10.9745 6.99769 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 6.29886 8.34494 12.9605 12.4252 11.6391 7.81215 14.898 17.458 15.2225 10.2693 19.889 5.64285 numMergedOcc 0
65 mol 234 unq 1 iso 0 dist 6.56247 9.45496 5.88703 7.82322 9.36357 6.7625 12.4252 11.6391 7.81215 5.75498 17.458 15.2225 10.2693 10.701 5.64285 numMergedOcc 0
66 mol 234 unq 2 iso 0 dist 9.36357 6.7625 5.88703 12.1694 8.34494 12.9605 5.75498 11.6391 7.81215 14.898 10.701 15.2225 10.2693 19.889 5.64285 numMergedOcc 0
67 mol 234 unq 3 iso 0 dist 9.36357 6.7625 5.88703 7.82322 6.56247 9.45496 5.75498 11.6391 7.81215 12.4252 10.701 15.2225 10.2693 17.458 5.64285 numMergedOcc 0
68 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 4.69778 8.13497 10.3935 10.067 10.3406 5.85442 11.4598 12.0576 15.8535 9.98105 14.517 6.9899 numMergedOcc 0
