0 mol 16 unq 0 iso 0 dist 6.31718 7.63133 10.8455 8.43054 4.65873 9.81307 6.92781 5.05803 12.5273 6.57331 11.0298 5.01101 15.1441 6.09368 6.42835 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 7.63133 6.31718 10.8455 8.43054 9.81307 4.65873 6.92781 12.5273 5.05803 6.57331 11.0298 15.1441 5.01101 6.09368 6.42835 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 10.9391 12.7009 12.8117 9.49421 11.037 13.2447 14.9982 12.1732 6.55597 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 10.9391 12.8117 12.7009 9.49421 11.037 14.9982 13.2447 12.1732 6.55597 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 10.9391 12.7009 12.8117 9.49421 14.581 11.3512 14.0853 8.99147 9.71956 numMergedOcc 0
5 mol 25 unq 1 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 10.9391 12.8117 12.7009 9.49421 14.581 14.0853 11.3512 8.99147 9.71956 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 10.9391 12.7009 12.8117 9.49421 13.0315 11.8139 14.1251 9.54872 7.07751 numMergedOcc 0
7 mol 25 unq 2 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 10.9391 12.8117 12.7009 9.49421 13.0315 14.1251 11.8139 9.54872 7.07751 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 10.9391 12.7009 12.8117 9.49421 17.2964 17.5134 19.2117 14.6175 8.23761 numMergedOcc 0
9 mol 25 unq 3 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 10.9391 12.8117 12.7009 9.49421 17.2964 19.2117 17.5134 14.6175 8.23761 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 7.57578 7.17969 4.33106 9.48085 5.18617 5.68041 10.9391 12.7009 12.8117 9.49421 16.4232 18.6183 19.7151 16.0628 7.52933 numMergedOcc 0
11 mol 25 unq 4 iso 1 dist 7.17969 7.57578 4.33106 9.48085 5.68041 5.18617 10.9391 12.8117 12.7009 9.49421 16.4232 19.7151 18.6183 16.0628 7.52933 numMergedOcc 0
12 mol 60 unq 0 iso 0 dist 6.65595 9.25011 4.73512 7.57295 7.80499 5.6397 6.54743 8.90863 10.0828 7.48086 12.544 8.27828 5.96376 8.42811 9.95132 numMergedOcc 0
13 mol 60 unq 0 iso 1 dist 9.25011 6.65595 4.73512 7.57295 5.6397 7.80499 6.54743 10.0828 8.90863 7.48086 12.544 5.96376 8.27828 8.42811 9.95132 numMergedOcc 0
14 mol 60 unq 1 iso 0 dist 6.65595 6.43294 10.6819 7.57295 7.80499 8.62476 6.54743 8.90863 11.5843 7.48086 12.544 8.27828 16.1296 8.42811 9.95132 numMergedOcc 0
15 mol 60 unq 1 iso 1 dist 6.43294 6.65595 10.6819 7.57295 8.62476 7.80499 6.54743 11.5843 8.90863 7.48086 12.544 16.1296 8.27828 8.42811 9.95132 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 6.65595 8.52121 8.93946 7.57295 7.80499 6.55502 6.54743 8.90863 12.4757 7.48086 12.544 8.27828 13.1523 8.42811 9.95132 numMergedOcc 0
17 mol 60 unq 2 iso 1 dist 8.52121 6.65595 8.93946 7.57295 6.55502 7.80499 6.54743 12.4757 8.90863 7.48086 12.544 13.1523 8.27828 8.42811 9.95132 numMergedOcc 0
18 mol 60 unq 1 iso 0 dist 9.25011 6.43294 11.3621 7.57295 5.6397 8.62476 6.54743 10.0828 11.5843 7.48086 12.544 5.96376 16.1296 8.42811 9.95132 numMergedOcc 0
19 mol 60 unq 1 iso 1 dist 6.43294 9.25011 11.3621 7.57295 8.62476 5.6397 6.54743 11.5843 10.0828 7.48086 12.544 16.1296 5.96376 8.42811 9.95132 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 9.25011 8.52121 7.66664 7.57295 5.6397 6.55502 6.54743 10.0828 12.4757 7.48086 12.544 5.96376 13.1523 8.42811 9.95132 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 8.52121 9.25011 7.66664 7.57295 6.55502 5.6397 6.54743 12.4757 10.0828 7.48086 12.544 13.1523 5.96376 8.42811 9.95132 numMergedOcc 0
22 mol 60 unq 2 iso 0 dist 6.43294 8.52121 5.51199 7.57295 8.62476 6.55502 6.54743 11.5843 12.4757 7.48086 12.544 16.1296 13.1523 8.42811 9.95132 numMergedOcc 0
23 mol 60 unq 2 iso 1 dist 8.52121 6.43294 5.51199 7.57295 6.55502 8.62476 6.54743 12.4757 11.5843 7.48086 12.544 13.1523 16.1296 8.42811 9.95132 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 8.8178 9.96708 10.7394 7.12321 4.27726 7.47371 8.24309 9.84449 9.78528 6.21799 9.35457 5.93202 9.67587 3.43675 5.03251 numMergedOcc 0
25 mol 72 unq 0 iso 1 dist 9.96708 8.8178 10.7394 7.12321 7.47371 4.27726 8.24309 9.78528 9.84449 6.21799 9.35457 9.67587 5.93202 3.43675 5.03251 numMergedOcc 0
26 mol 72 unq 1 iso 0 dist 8.8178 9.96708 10.7394 7.12321 4.27726 7.47371 8.24309 9.84449 9.78528 6.21799 12.1131 8.7566 7.07356 5.75711 7.66093 numMergedOcc 0
27 mol 72 unq 1 iso 1 dist 9.96708 8.8178 10.7394 7.12321 7.47371 4.27726 8.24309 9.78528 9.84449 6.21799 12.1131 7.07356 8.7566 5.75711 7.66093 numMergedOcc 0
28 mol 73 unq 0 iso 0 dist 9.38498 9.96396 15.7123 9.73086 17.4121 5.70116 5.4148 10.2049 6.19304 7.4369 12.2276 18.7673 6.20232 3.30399 8.68662 numMergedOcc 0
29 mol 73 unq 0 iso 1 dist 9.96396 9.38498 15.7123 9.73086 5.70116 17.4121 5.4148 6.19304 10.2049 7.4369 12.2276 6.20232 18.7673 3.30399 8.68662 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 9.38498 9.75218 13.7412 9.73086 17.4121 14.844 5.4148 10.2049 11.6369 7.4369 12.2276 18.7673 17.2422 3.30399 8.68662 numMergedOcc 0
31 mol 73 unq 1 iso 1 dist 9.75218 9.38498 13.7412 9.73086 14.844 17.4121 5.4148 11.6369 10.2049 7.4369 12.2276 17.2422 18.7673 3.30399 8.68662 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 9.96396 9.75218 12.016 9.73086 5.70116 14.844 5.4148 6.19304 11.6369 7.4369 12.2276 6.20232 17.2422 3.30399 8.68662 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 9.75218 9.96396 12.016 9.73086 14.844 5.70116 5.4148 11.6369 6.19304 7.4369 12.2276 17.2422 6.20232 3.30399 8.68662 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 9.60661 6.65086 5.88134 8.91882 4.03277 6.23008 10.8375 10.1489 13.2001 9.21662 13.2137 9.81953 12.0341 6.25463 9.90751 numMergedOcc 0
35 mol 100 unq 0 iso 1 dist 6.65086 9.60661 5.88134 8.91882 6.23008 4.03277 10.8375 13.2001 10.1489 9.21662 13.2137 12.0341 9.81953 6.25463 9.90751 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 6.39384 6.63111 6.07067 7.69052 5.83991 7.88312 9.42082 13.4105 4.48636 11.835 11.044 7.69765 numMergedOcc 0
37 mol 115 unq 0 iso 1 dist 6.11741 9.33865 8.02349 6.39384 6.07067 6.63111 7.69052 7.88312 5.83991 9.42082 13.4105 11.835 4.48636 11.044 7.69765 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 5.49782 6.37586 9.71307 7.93372 13.9752 6.95573 10.2026 11.4107 9.33924 numMergedOcc 0
39 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 5.49782 9.71307 6.37586 7.93372 13.9752 10.2026 6.95573 11.4107 9.33924 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 9.33094 7.41373 10.8635 6.81259 9.86662 9.71307 8.69531 11.0808 12.8086 15.0225 5.83782 9.1998 numMergedOcc 0
41 mol 134 unq 1 iso 1 dist 6.37586 8.94367 5.49782 9.33094 10.8635 7.41373 6.81259 9.71307 9.86662 8.69531 11.0808 15.0225 12.8086 5.83782 9.1998 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 6.81259 9.86662 12.5075 8.69531 11.0808 12.8086 15.9138 5.83782 9.1998 numMergedOcc 0
43 mol 134 unq 2 iso 1 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 6.81259 12.5075 9.86662 8.69531 11.0808 15.9138 12.8086 5.83782 9.1998 numMergedOcc 0
44 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 6.81259 9.71307 12.5075 8.69531 11.0808 15.0225 15.9138 5.83782 9.1998 numMergedOcc 0
45 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 6.81259 12.5075 9.71307 8.69531 11.0808 15.9138 15.0225 5.83782 9.1998 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 11.6064 15.281 15.6507 6.42772 12.1179 19.3762 20.4403 7.62195 9.10524 numMergedOcc 0
47 mol 134 unq 1 iso 1 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 11.6064 15.6507 15.281 6.42772 12.1179 20.4403 19.3762 7.62195 9.10524 numMergedOcc 0
48 mol 134 unq 2 iso 0 dist 9.86662 9.71307 5.49782 9.1998 12.8086 15.0225 7.09823 14.0375 15.9508 8.70621 9.71716 16.4114 18.3331 6.05407 5.35237 numMergedOcc 0
49 mol 134 unq 2 iso 1 dist 9.71307 9.86662 5.49782 9.1998 15.0225 12.8086 7.09823 15.9508 14.0375 8.70621 9.71716 18.3331 16.4114 6.05407 5.35237 numMergedOcc 0
50 mol 142 unq 0 iso 0 dist 5.31024 7.26382 5.50998 6.14151 4.67662 5.81599 5.32922 9.2313 7.73169 7.81207 10.7696 13.5913 9.99555 13.4681 7.18002 numMergedOcc 0
51 mol 142 unq 0 iso 1 dist 7.26382 5.31024 5.50998 6.14151 5.81599 4.67662 5.32922 7.73169 9.2313 7.81207 10.7696 9.99555 13.5913 13.4681 7.18002 numMergedOcc 0
52 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 6.70693 4.94983 5.39112 7.65448 10.399 8.56324 6.59889 9.27706 5.97582 4.84714 3.55572 8.9192 numMergedOcc 0
53 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 6.70693 5.39112 4.94983 7.65448 8.56324 10.399 6.59889 9.27706 4.84714 5.97582 3.55572 8.9192 numMergedOcc 0
54 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 6.70693 4.94983 9.67475 7.65448 10.399 14.1618 6.59889 9.27706 5.97582 9.20746 3.55572 8.9192 numMergedOcc 0
55 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 6.70693 9.67475 4.94983 7.65448 14.1618 10.399 6.59889 9.27706 9.20746 5.97582 3.55572 8.9192 numMergedOcc 0
56 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 6.70693 5.39112 9.67475 7.65448 8.56324 14.1618 6.59889 9.27706 4.84714 9.20746 3.55572 8.9192 numMergedOcc 0
57 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 6.70693 9.67475 5.39112 7.65448 14.1618 8.56324 6.59889 9.27706 9.20746 4.84714 3.55572 8.9192 numMergedOcc 0
58 mol 238 unq 0 iso 0 dist 6.22714 7.31233 5.34096 9.08509 12.7938 11.0772 10.1813 11.0896 11.5794 6.99888 12.47 16.1799 14.0512 3.46869 9.07475 numMergedOcc 0
59 mol 238 unq 0 iso 1 dist 7.31233 6.22714 5.34096 9.08509 11.0772 12.7938 10.1813 11.5794 11.0896 6.99888 12.47 14.0512 16.1799 3.46869 9.07475 numMergedOcc 0
60 mol 259 unq 0 iso 0 dist 8.53687 8.13497 10.582 9.07743 6.73882 8.8603 4.69778 10.5767 7.88519 7.66153 12.8229 15.3689 7.20604 10.3051 9.63573 numMergedOcc 0
61 mol 259 unq 0 iso 1 dist 8.13497 8.53687 10.582 9.07743 8.8603 6.73882 4.69778 7.88519 10.5767 7.66153 12.8229 7.20604 15.3689 10.3051 9.63573 numMergedOcc 0
62 mol 259 unq 1 iso 0 dist 8.13497 7.88519 4.69778 9.46361 12.2293 11.6988 6.96053 10.3935 7.46176 6.95511 10.3406 11.4598 10.067 3.51848 5.85442 numMergedOcc 0
63 mol 259 unq 1 iso 1 dist 7.88519 8.13497 4.69778 9.46361 11.6988 12.2293 6.96053 7.46176 10.3935 6.95511 10.3406 10.067 11.4598 3.51848 5.85442 numMergedOcc 0
