0 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 17.544 10.0952 8.86116 13.7266 5.69214 7.95042 5.11636 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 16.8105 10.0952 6.86014 11.8618 5.11636 7.95042 5.69214 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 13.1327 5.79773 9.91611 6.12374 4.40004 7.26639 8.68364 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 8.47617 5.06502 6.20293 12.5916 4.96926 6.75943 5.41726 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.99509 8.14351 5.73819 5.73331 5.89973 8.93915 12.5916 4.96926 6.75943 10.0383 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.47617 8.14351 6.20293 8.99509 5.06502 5.73819 12.5916 5.41726 6.75943 4.96926 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.47617 8.14351 6.20293 5.73331 6.45462 8.93915 12.5916 5.41726 6.75943 10.0383 numMergedOcc 0
7 mol 43 unq 4 iso 0 dist 5.73331 8.14351 8.93915 8.99509 5.89973 5.73819 12.5916 10.0383 6.75943 4.96926 numMergedOcc 0
8 mol 43 unq 5 iso 0 dist 5.73331 8.14351 8.93915 8.47617 6.45462 6.20293 12.5916 10.0383 6.75943 5.41726 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 9.77082 3.94537 9.3948 11.3215 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 12.6856 6.12605 9.74607 5.06946 numMergedOcc 0
11 mol 95 unq 2 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 8.0675 3.94537 9.3948 11.3215 numMergedOcc 0
12 mol 95 unq 3 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 14.3138 6.12605 9.74607 5.06946 numMergedOcc 0
13 mol 95 unq 4 iso 0 dist 8.13273 14.1434 8.03644 15.9036 8.41707 7.27724 17.8295 11.3215 9.3948 3.94537 numMergedOcc 0
14 mol 95 unq 5 iso 0 dist 8.13273 14.1434 8.03644 15.9036 8.41707 7.27724 11.0421 5.06946 9.74607 6.12605 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 11.7895 8.02349 6.11741 9.21978 6.63111 6.39384 6.07067 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 12.9567 10.8507 7.30858 6.17349 4.48636 7.69765 10.3209 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 12.9567 10.8507 7.30858 9.21978 6.63111 9.42082 15.3161 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 6.17349 4.48636 7.69765 11.835 numMergedOcc 0
19 mol 115 unq 4 iso 0 dist 5.11612 6.86762 5.83991 11.7895 8.02349 7.88312 9.21978 6.63111 9.42082 6.07067 numMergedOcc 0
20 mol 115 unq 5 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 9.26505 6.95773 6.24825 6.01673 numMergedOcc 0
21 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 5.20001 6.57678 6.10127 10.5783 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.29673 9.35671 8.22656 11.5292 5.61668 6.82262 13.5739 6.9945 7.22643 4.19723 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 8.94909 6.80087 8.00618 12.8006 11.965 6.29155 7.33743 15.0115 8.77023 13.0405 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 8.94909 6.80087 8.00618 9.73536 7.79672 6.80239 7.33743 15.0115 8.77023 13.7612 numMergedOcc 0
25 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 12.8022 4.94983 6.70693 5.39112 numMergedOcc 0
26 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 6.00061 5.54906 8.67331 12.8022 4.94983 6.70693 9.67475 numMergedOcc 0
27 mol 152 unq 2 iso 0 dist 9.0847 8.41711 6.70283 9.37459 5.42328 5.87555 12.8022 5.39112 6.70693 4.94983 numMergedOcc 0
28 mol 152 unq 3 iso 0 dist 9.0847 8.41711 6.70283 6.00061 6.4896 8.67331 12.8022 5.39112 6.70693 9.67475 numMergedOcc 0
29 mol 152 unq 4 iso 0 dist 6.00061 8.41711 8.67331 9.37459 5.54906 5.87555 12.8022 9.67475 6.70693 4.94983 numMergedOcc 0
30 mol 152 unq 5 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 12.8022 9.67475 6.70693 5.39112 numMergedOcc 0
31 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 8.57378 5.34677 6.43573 10.6504 8.44333 9.11204 6.8202 numMergedOcc 0
32 mol 178 unq 1 iso 0 dist 5.41229 4.51874 6.69288 10.1979 11.7381 7.17202 10.6504 8.44333 9.11204 14.9499 numMergedOcc 0
33 mol 178 unq 2 iso 0 dist 5.41229 4.51874 6.69288 13.0631 14.0703 8.81551 10.6504 8.44333 9.11204 14.2467 numMergedOcc 0
34 mol 178 unq 3 iso 0 dist 8.57378 4.51874 6.43573 5.41229 5.34677 6.69288 10.6504 6.8202 9.11204 8.44333 numMergedOcc 0
35 mol 178 unq 4 iso 0 dist 8.57378 4.51874 6.43573 10.1979 9.89739 7.17202 10.6504 6.8202 9.11204 14.9499 numMergedOcc 0
36 mol 178 unq 5 iso 0 dist 8.57378 4.51874 6.43573 13.0631 10.5529 8.81551 10.6504 6.8202 9.11204 14.2467 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 12.2912 10.6474 6.64173 6.8757 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 14.976 5.93724 9.01624 5.71898 numMergedOcc 0
39 mol 181 unq 2 iso 0 dist 9.50454 11.755 7.63312 15.3001 8.85576 7.81386 12.82 5.12833 9.55105 5.83796 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 7.15963 14.1493 9.1374 17.347 13.2049 8.03334 18.8712 12.9532 9.76212 6.50233 numMergedOcc 0
41 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 11.1968 6.8757 6.64173 10.6474 numMergedOcc 0
42 mol 181 unq 5 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 9.45579 5.71898 9.01624 5.93724 numMergedOcc 0
43 mol 181 unq 6 iso 0 dist 6.43406 10.9813 7.81386 13.9818 8.85576 7.63312 11.3781 5.83796 9.55105 5.12833 numMergedOcc 0
44 mol 181 unq 7 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 16.4043 10.6474 6.64173 6.8757 numMergedOcc 0
45 mol 181 unq 8 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 11.369 5.93724 9.01624 5.71898 numMergedOcc 0
46 mol 181 unq 9 iso 0 dist 8.80581 10.209 7.63312 14.9028 8.85576 7.81386 12.9703 5.12833 9.55105 5.83796 numMergedOcc 0
47 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 13.1824 7.38516 6.03031 19.2865 13.514 6.52816 9.49403 numMergedOcc 0
48 mol 205 unq 1 iso 0 dist 6.04106 12.9245 7.26832 19.8591 13.8543 7.80463 19.2865 13.514 6.52816 3.56269 numMergedOcc 0
49 mol 224 unq 0 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 11.4433 5.76843 8.79428 7.05804 numMergedOcc 0
50 mol 224 unq 1 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 11.4433 5.76843 6.8692 7.05804 numMergedOcc 0
51 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 14.6947 6.91102 5.81334 11.4433 5.76843 6.8692 4.54188 numMergedOcc 0
52 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 12.069 7.82322 6.7625 15.858 12.4252 7.81215 5.75498 numMergedOcc 0
53 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 13.6039 12.2293 9.46361 11.6988 numMergedOcc 0
54 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 5.29682 4.69778 8.13497 13.6039 11.6988 9.46361 12.2293 numMergedOcc 0
