0 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 14.1217 7.12508 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.88982 13.9585 7.10621 16.6084 11.143 7.67927 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.8576 10.4545 8.41585 18.0394 12.8323 9.87885 numMergedOcc 0
3 mol 9 unq 0 iso 0 dist 7.25179 13.7 8.57077 15.5234 8.69454 8.55451 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.25179 13.7 8.57077 12.539 5.84314 5.8245 numMergedOcc 0
5 mol 9 unq 2 iso 0 dist 8.72522 16.5569 8.57077 15.551 8.69454 8.55451 numMergedOcc 0
6 mol 9 unq 3 iso 0 dist 8.72522 16.5569 8.57077 13.4961 5.84314 5.8245 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 13.7266 5.69214 7.95042 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 11.8618 5.11636 7.95042 numMergedOcc 0
9 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 6.12374 4.40004 7.26639 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 12.5916 4.96926 6.75943 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 8.47617 15.1595 8.80331 12.5916 5.41726 6.6263 numMergedOcc 0
12 mol 43 unq 2 iso 0 dist 8.47617 8.14351 6.20293 12.5916 5.41726 6.75943 numMergedOcc 0
13 mol 43 unq 3 iso 0 dist 5.73331 8.14351 8.93915 12.5916 10.0383 6.75943 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 9.77082 3.94537 9.3948 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 9.17862 15.821 7.27724 12.6856 6.12605 9.74607 numMergedOcc 0
16 mol 95 unq 2 iso 0 dist 8.27456 9.7565 7.27724 8.0675 3.94537 9.3948 numMergedOcc 0
17 mol 95 unq 3 iso 0 dist 8.27456 9.7565 7.27724 14.3138 6.12605 9.74607 numMergedOcc 0
18 mol 95 unq 4 iso 0 dist 8.13273 14.1434 8.03644 17.8295 11.3215 9.3948 numMergedOcc 0
19 mol 95 unq 5 iso 0 dist 8.13273 14.1434 8.03644 11.0421 5.06946 9.74607 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 5.44426 3.9764 5.10496 numMergedOcc 0
21 mol 98 unq 1 iso 0 dist 4.31067 4.70157 6.48948 5.44426 3.9764 5.92242 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 4.31067 4.70157 6.48948 7.63284 7.03983 7.02507 numMergedOcc 0
23 mol 98 unq 3 iso 0 dist 4.31067 6.21302 6.10456 10.877 10.4782 7.54889 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 4.31067 6.21302 6.10456 5.44426 3.9764 5.2571 numMergedOcc 0
25 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 9.21978 6.63111 6.39384 numMergedOcc 0
26 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 6.17349 4.48636 7.69765 numMergedOcc 0
27 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 9.21978 6.63111 9.42082 numMergedOcc 0
28 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 9.26505 6.95773 6.24825 numMergedOcc 0
29 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 5.20001 6.57678 6.10127 numMergedOcc 0
30 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 17.0406 12.8087 6.08673 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 8.62413 12.1739 5.51197 numMergedOcc 0
32 mol 129 unq 1 iso 0 dist 7.00798 5.57978 8.54584 6.93102 5.63254 8.86944 numMergedOcc 0
33 mol 129 unq 2 iso 0 dist 7.00798 5.57978 8.54584 8.4375 8.26896 6.69691 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 8.29673 9.35671 8.22656 13.5739 6.9945 7.22643 numMergedOcc 0
35 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 7.33743 15.0115 8.77023 numMergedOcc 0
36 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 12.8022 4.94983 6.70693 numMergedOcc 0
37 mol 152 unq 1 iso 0 dist 9.0847 14.8573 8.56324 12.8022 5.39112 6.59889 numMergedOcc 0
38 mol 152 unq 2 iso 0 dist 9.0847 14.8573 8.56324 13.3531 4.84714 8.9192 numMergedOcc 0
39 mol 152 unq 3 iso 0 dist 9.0847 8.41711 6.70283 12.8022 5.39112 6.70693 numMergedOcc 0
40 mol 152 unq 4 iso 0 dist 6.00061 8.41711 8.67331 12.8022 9.67475 6.70693 numMergedOcc 0
41 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 5.4647 6.42973 7.06025 numMergedOcc 0
42 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 10.6504 8.44333 9.11204 numMergedOcc 0
43 mol 178 unq 2 iso 0 dist 8.57378 4.51874 6.43573 10.6504 6.8202 9.11204 numMergedOcc 0
44 mol 178 unq 3 iso 0 dist 8.63718 11.5509 6.69288 14.8114 6.42973 7.06025 numMergedOcc 0
45 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 12.2912 10.6474 6.64173 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 9.50454 11.755 7.63312 14.976 5.93724 9.01624 numMergedOcc 0
47 mol 181 unq 2 iso 0 dist 9.50454 11.755 7.63312 12.82 5.12833 9.55105 numMergedOcc 0
48 mol 181 unq 3 iso 0 dist 7.15963 14.1493 9.1374 18.8712 12.9532 9.76212 numMergedOcc 0
49 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 11.1968 6.8757 6.64173 numMergedOcc 0
50 mol 181 unq 5 iso 0 dist 6.43406 10.9813 7.81386 9.45579 5.71898 9.01624 numMergedOcc 0
51 mol 181 unq 6 iso 0 dist 6.43406 10.9813 7.81386 11.3781 5.83796 9.55105 numMergedOcc 0
52 mol 181 unq 7 iso 0 dist 8.80581 10.209 7.63312 16.4043 10.6474 6.64173 numMergedOcc 0
53 mol 181 unq 8 iso 0 dist 8.80581 10.209 7.63312 11.369 5.93724 9.01624 numMergedOcc 0
54 mol 181 unq 9 iso 0 dist 8.80581 10.209 7.63312 12.9703 5.12833 9.55105 numMergedOcc 0
55 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 19.2865 13.514 6.52816 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 8.47457 5.15333 6.65832 11.4433 5.76843 6.99769 numMergedOcc 0
57 mol 224 unq 1 iso 0 dist 8.47457 8.1404 6.60589 11.4433 5.76843 8.79428 numMergedOcc 0
58 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 11.4433 5.76843 6.8692 numMergedOcc 0
59 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 15.858 12.4252 7.81215 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 5.99187 5.87189 7.31233 13.2221 10.3162 9.12776 numMergedOcc 0
61 mol 243 unq 0 iso 0 dist 8.69557 9.51148 8.23192 8.8602 5.71505 8.69318 numMergedOcc 0
62 mol 243 unq 1 iso 0 dist 4.89168 6.50608 8.23192 9.49016 5.71505 8.69318 numMergedOcc 0
63 mol 248 unq 0 iso 0 dist 9.5107 11.8955 7.69895 10.2557 4.58289 9.05018 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 13.6039 12.2293 9.46361 numMergedOcc 0
65 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 13.6039 11.6988 9.46361 numMergedOcc 0
66 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 13.5375 10.067 5.85442 numMergedOcc 0
67 mol 259 unq 3 iso 0 dist 6.20344 10.3156 7.46176 13.6039 11.6988 6.95511 numMergedOcc 0
68 mol 264 unq 0 iso 0 dist 9.00498 5.7052 9.17653 9.93738 10.7813 8.29262 numMergedOcc 0
