0 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 13.2247 12.2333 6.1206 14.1836 16.5681 4.80709 7.67927 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 4.7319 7.65889 6.86055 10.2656 11.0958 6.42835 13.1847 12.9201 6.09368 6.57331 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.31718 8.43054 4.65873 6.92781 5.05803 6.57331 11.0298 5.01101 6.09368 6.42835 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.63133 8.43054 9.81307 6.92781 12.5273 6.57331 11.0298 15.1441 6.09368 6.42835 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 12.3944 11.6045 12.7147 4.79873 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 11.037 13.2447 12.1732 6.55597 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 14.581 11.3512 8.99147 9.71956 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 13.0315 11.8139 9.54872 7.07751 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 17.2964 17.5134 14.6175 8.23761 numMergedOcc 0
9 mol 25 unq 5 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 16.4232 18.6183 16.0628 7.52933 numMergedOcc 0
10 mol 25 unq 6 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 11.037 14.9982 12.1732 6.55597 numMergedOcc 0
11 mol 25 unq 7 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 14.581 14.0853 8.99147 9.71956 numMergedOcc 0
12 mol 25 unq 8 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 13.0315 14.1251 9.54872 7.07751 numMergedOcc 0
13 mol 25 unq 9 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 17.2964 19.2117 14.6175 8.23761 numMergedOcc 0
14 mol 25 unq 10 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 16.4232 19.7151 16.0628 7.52933 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 6.62496 9.22598 9.87158 4.81926 6.35756 8.96727 9.55996 5.86526 6.20884 8.01308 numMergedOcc 0
16 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 6.54743 8.90863 7.48086 12.544 8.27828 8.42811 9.95132 numMergedOcc 0
17 mol 60 unq 1 iso 0 dist 9.25011 7.57295 5.6397 6.54743 10.0828 7.48086 12.544 5.96376 8.42811 9.95132 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 6.43294 7.57295 8.62476 6.54743 11.5843 7.48086 12.544 16.1296 8.42811 9.95132 numMergedOcc 0
19 mol 60 unq 3 iso 0 dist 8.7531 8.4312 8.62476 5.00018 11.5843 7.48086 14.0656 16.1296 8.42811 9.95132 numMergedOcc 0
20 mol 60 unq 4 iso 0 dist 8.52121 7.57295 6.55502 6.54743 12.4757 7.48086 12.544 13.1523 8.42811 9.95132 numMergedOcc 0
21 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 8.24309 9.84449 6.21799 9.35457 5.93202 3.43675 5.03251 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 8.8178 7.12321 4.27726 8.24309 9.84449 6.21799 12.1131 8.7566 5.75711 7.66093 numMergedOcc 0
23 mol 72 unq 2 iso 0 dist 9.96708 7.12321 7.47371 8.24309 9.78528 6.21799 9.35457 9.67587 3.43675 5.03251 numMergedOcc 0
24 mol 72 unq 3 iso 0 dist 9.96708 7.12321 7.47371 8.24309 9.78528 6.21799 12.1131 7.07356 5.75711 7.66093 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.4148 10.2049 7.4369 12.2276 18.7673 3.30399 8.68662 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 9.96396 9.73086 5.70116 5.4148 6.19304 7.4369 12.2276 6.20232 3.30399 8.68662 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 8.70481 5.5087 11.2069 8.07446 16.0098 5.61588 10.2939 15.9527 9.76138 8.72682 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 8.70481 5.5087 11.2069 8.07446 16.0098 5.61588 8.62198 13.49 3.32668 6.45841 numMergedOcc 0
29 mol 73 unq 4 iso 0 dist 8.70481 5.5087 11.2069 8.07446 16.0098 5.61588 6.08682 10.6713 5.30471 7.83244 numMergedOcc 0
30 mol 73 unq 5 iso 0 dist 8.70481 6.08682 10.6713 8.07446 16.0098 7.83244 10.2939 15.9527 5.81659 8.72682 numMergedOcc 0
31 mol 73 unq 6 iso 0 dist 8.70481 6.08682 10.6713 8.07446 16.0098 7.83244 8.62198 13.49 8.07648 6.45841 numMergedOcc 0
32 mol 73 unq 7 iso 0 dist 8.70481 6.08682 10.6713 8.07446 16.0098 7.83244 5.5087 11.2069 5.30471 5.61588 numMergedOcc 0
33 mol 73 unq 8 iso 0 dist 9.75218 9.73086 14.844 5.4148 11.6369 7.4369 12.2276 17.2422 3.30399 8.68662 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 9.89095 7.03983 9.6331 7.02507 numMergedOcc 0
35 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 9.81956 10.4782 6.70343 7.54889 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 9.81956 10.4782 6.70343 7.78931 numMergedOcc 0
37 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 10.8223 10.4782 6.70343 7.54889 numMergedOcc 0
38 mol 98 unq 4 iso 0 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 10.8223 10.4782 6.70343 7.78931 numMergedOcc 0
39 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 5.2571 3.9764 6.70343 8.7497 numMergedOcc 0
40 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 12.7417 7.03983 9.6331 7.02507 numMergedOcc 0
41 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 7.54889 10.4782 6.70343 7.78931 numMergedOcc 0
42 mol 100 unq 0 iso 0 dist 9.60661 8.91882 4.03277 10.8375 10.1489 9.21662 13.2137 9.81953 6.25463 9.90751 numMergedOcc 0
43 mol 100 unq 1 iso 0 dist 6.65086 8.91882 6.23008 10.8375 13.2001 9.21662 13.2137 12.0341 6.25463 9.90751 numMergedOcc 0
44 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 4.8896 11.5121 9.02706 8.0427 7.57713 6.38762 9.39168 numMergedOcc 0
45 mol 112 unq 1 iso 0 dist 7.71338 8.0427 7.57713 4.8896 11.5121 9.39168 8.47988 6.95317 6.38762 9.02706 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 9.33865 6.39384 6.63111 7.69052 5.83991 9.42082 13.4105 4.48636 11.044 7.69765 numMergedOcc 0
47 mol 115 unq 1 iso 0 dist 6.11741 6.39384 6.07067 7.69052 7.88312 9.42082 13.4105 11.835 11.044 7.69765 numMergedOcc 0
48 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.49782 6.37586 7.93372 13.9752 6.95573 11.4107 9.33924 numMergedOcc 0
49 mol 134 unq 1 iso 0 dist 8.94367 9.33094 7.41373 6.81259 9.86662 8.69531 11.0808 12.8086 5.83782 9.1998 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 6.37586 9.33094 10.8635 6.81259 9.71307 8.69531 11.0808 15.0225 5.83782 9.1998 numMergedOcc 0
51 mol 134 unq 3 iso 0 dist 6.49416 9.33094 12.3479 6.81259 12.5075 8.69531 11.0808 15.9138 5.83782 9.1998 numMergedOcc 0
52 mol 134 unq 4 iso 0 dist 9.86662 7.21868 4.00092 5.49782 9.71307 7.93372 13.9752 10.2026 11.4107 9.33924 numMergedOcc 0
53 mol 134 unq 5 iso 0 dist 9.86662 9.1998 12.8086 11.6064 15.281 6.42772 12.1179 19.3762 7.62195 9.10524 numMergedOcc 0
54 mol 134 unq 6 iso 0 dist 9.86662 9.1998 12.8086 7.09823 14.0375 8.70621 9.71716 16.4114 6.05407 5.35237 numMergedOcc 0
55 mol 134 unq 7 iso 0 dist 9.71307 9.1998 15.0225 11.6064 15.6507 6.42772 12.1179 20.4403 7.62195 9.10524 numMergedOcc 0
56 mol 134 unq 8 iso 0 dist 9.71307 9.1998 15.0225 7.09823 15.9508 8.70621 9.71716 18.3331 6.05407 5.35237 numMergedOcc 0
57 mol 142 unq 0 iso 0 dist 5.31024 6.14151 4.67662 5.32922 9.2313 7.81207 10.7696 13.5913 13.4681 7.18002 numMergedOcc 0
58 mol 142 unq 1 iso 0 dist 7.26382 6.14151 5.81599 5.32922 7.73169 7.81207 10.7696 9.99555 13.4681 7.18002 numMergedOcc 0
59 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 7.65448 10.399 6.59889 9.27706 5.97582 3.55572 8.9192 numMergedOcc 0
60 mol 152 unq 1 iso 0 dist 6.70283 6.70693 5.39112 7.65448 8.56324 6.59889 9.27706 4.84714 3.55572 8.9192 numMergedOcc 0
61 mol 152 unq 2 iso 0 dist 8.67331 6.70693 9.67475 7.65448 14.1618 6.59889 9.27706 9.20746 3.55572 8.9192 numMergedOcc 0
62 mol 167 unq 0 iso 0 dist 9.87651 9.2289 12.0033 4.70068 12.4733 7.68266 7.02548 11.6011 3.55199 6.84752 numMergedOcc 0
63 mol 167 unq 1 iso 0 dist 9.87651 9.2289 12.0033 10.3445 17.5366 7.6616 7.02548 11.6011 3.55199 7.86563 numMergedOcc 0
64 mol 167 unq 2 iso 0 dist 9.87651 7.02548 11.6011 4.70068 12.4733 6.84752 9.2289 12.0033 3.55199 7.68266 numMergedOcc 0
65 mol 167 unq 3 iso 0 dist 9.87651 7.02548 11.6011 10.3445 17.5366 7.86563 9.2289 12.0033 3.55199 7.6616 numMergedOcc 0
66 mol 192 unq 0 iso 0 dist 5.59424 5.64942 6.35474 5.76246 7.00794 6.97962 7.43054 5.25965 3.60331 6.79229 numMergedOcc 0
67 mol 192 unq 1 iso 0 dist 5.59424 7.43054 5.25965 5.76246 7.00794 6.79229 5.64942 6.35474 3.60331 6.97962 numMergedOcc 0
68 mol 192 unq 2 iso 0 dist 7.00794 6.97962 6.35474 5.76246 5.59424 5.64942 12.8149 9.53265 5.9655 9.78634 numMergedOcc 0
69 mol 192 unq 3 iso 0 dist 7.00794 6.97962 6.35474 5.76246 5.59424 5.64942 6.79229 5.25965 3.60331 7.43054 numMergedOcc 0
70 mol 192 unq 4 iso 0 dist 7.00794 6.79229 5.25965 5.76246 5.59424 7.43054 12.8149 9.53265 7.70298 9.78634 numMergedOcc 0
71 mol 192 unq 5 iso 0 dist 7.00794 6.79229 5.25965 5.76246 5.59424 7.43054 6.97962 6.35474 3.60331 5.64942 numMergedOcc 0
72 mol 238 unq 0 iso 0 dist 6.22714 9.08509 12.7938 10.1813 11.0896 6.99888 12.47 16.1799 3.46869 9.07475 numMergedOcc 0
73 mol 238 unq 1 iso 0 dist 7.31233 9.08509 11.0772 10.1813 11.5794 6.99888 12.47 14.0512 3.46869 9.07475 numMergedOcc 0
74 mol 259 unq 0 iso 0 dist 8.53687 9.07743 6.73882 4.69778 10.5767 7.66153 12.8229 15.3689 10.3051 9.63573 numMergedOcc 0
75 mol 259 unq 1 iso 0 dist 8.13497 9.07743 8.8603 4.69778 7.88519 7.66153 12.8229 7.20604 10.3051 9.63573 numMergedOcc 0
76 mol 259 unq 2 iso 0 dist 8.13497 9.46361 12.2293 6.96053 10.3935 6.95511 10.3406 11.4598 3.51848 5.85442 numMergedOcc 0
77 mol 259 unq 3 iso 0 dist 7.88519 9.46361 11.6988 6.96053 7.46176 6.95511 10.3406 10.067 3.51848 5.85442 numMergedOcc 0
78 mol 259 unq 4 iso 0 dist 7.46176 5.85442 10.067 9.98105 12.0576 6.9899 11.7465 10.282 8.0048 8.03219 numMergedOcc 0
79 mol 259 unq 5 iso 0 dist 5.30224 6.9899 7.09907 9.98105 11.858 5.85442 10.4017 9.71793 3.51848 6.95511 numMergedOcc 0
80 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 7.08227 16.3537 5.46926 6.92711 14.772 3.39114 5.13913 numMergedOcc 0
81 mol 277 unq 1 iso 0 dist 9.7748 6.92711 14.772 7.08227 16.3537 5.13913 8.9682 17.6038 3.39114 5.46926 numMergedOcc 0
82 mol 292 unq 0 iso 0 dist 8.2734 8.38121 14.179 11.8061 17.2013 9.90967 10.9396 12.241 8.10966 9.9886 numMergedOcc 0
