0 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 16.8105 10.0952 6.86014 12.5077 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 8.99509 5.06502 5.73819 10.5523 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 15.1595 8.80331 8.13395 5.73331 6.45462 8.93915 14.7803 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 8.46609 4.72836 6.65595 9.1013 9.25011 4.73512 12.0878 6.54743 8.90863 10.0828 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 8.46609 4.72836 6.65595 12.4802 6.43294 10.6819 12.0878 6.54743 8.90863 11.5843 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 8.46609 4.72836 6.65595 11.7276 8.52121 8.93946 12.0878 6.54743 8.90863 12.4757 numMergedOcc 0
6 mol 60 unq 3 iso 0 dist 8.46609 12.4802 6.43294 4.72836 6.65595 10.6819 18.3818 10.1562 8.33063 16.4714 numMergedOcc 0
7 mol 60 unq 4 iso 0 dist 8.46609 12.4802 6.43294 4.72836 6.65595 10.6819 13.7633 5.67502 8.7531 11.1899 numMergedOcc 0
8 mol 60 unq 5 iso 0 dist 8.46609 12.4802 6.43294 9.1013 9.25011 11.3621 18.3818 10.1562 8.33063 17.3965 numMergedOcc 0
9 mol 60 unq 6 iso 0 dist 8.46609 12.4802 6.43294 9.1013 9.25011 11.3621 13.7633 5.67502 8.7531 12.4656 numMergedOcc 0
10 mol 60 unq 7 iso 0 dist 8.46609 12.4802 6.43294 11.7276 8.52121 5.51199 18.3818 10.1562 8.33063 13.1051 numMergedOcc 0
11 mol 60 unq 8 iso 0 dist 8.46609 12.4802 6.43294 11.7276 8.52121 5.51199 13.7633 5.67502 8.7531 11.6311 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.55238 10.7376 9.01083 7.30086 7.88289 8.18643 11.4018 5.53837 7.2658 11.152 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 9.85406 16.7843 9.01083 10.2242 7.88289 8.18643 15.2985 5.53837 7.2658 11.152 numMergedOcc 0
14 mol 95 unq 2 iso 0 dist 5.76199 11.5715 9.01083 5.58096 7.88289 8.18643 10.9827 5.53837 7.2658 11.152 numMergedOcc 0
15 mol 95 unq 3 iso 0 dist 9.88504 4.12027 9.01083 4.3433 7.2658 5.53837 11.0821 8.18643 7.88289 11.152 numMergedOcc 0
16 mol 95 unq 4 iso 0 dist 8.13273 14.1434 8.03644 6.56354 9.03572 16.6055 15.9036 8.41707 7.27724 16.9836 numMergedOcc 0
17 mol 95 unq 5 iso 0 dist 8.13273 14.1434 8.03644 6.68919 8.83255 13.8105 15.9036 8.41707 7.27724 16.9811 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 6.86762 5.83991 7.69052 11.7895 8.02349 6.11741 7.88312 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 12.9567 10.8507 7.30858 13.8473 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 5.11612 6.86762 5.83991 10.3475 9.33865 7.69052 11.7895 8.02349 7.88312 6.11741 numMergedOcc 0
21 mol 115 unq 3 iso 0 dist 5.22628 10.0419 9.33865 6.8104 6.11741 8.02349 11.2519 7.69052 5.83991 7.88312 numMergedOcc 0
22 mol 115 unq 4 iso 0 dist 5.22628 6.8104 6.11741 10.0419 9.33865 8.02349 11.2519 7.69052 7.88312 5.83991 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 6.29975 5.78974 9.52634 4.90674 6.5107 9.56949 6.53153 6.69554 9.91388 9.66421 numMergedOcc 0
24 mol 133 unq 1 iso 0 dist 6.29975 5.78974 9.52634 4.90674 6.5107 9.56949 8.29673 7.6656 7.24514 12.0352 numMergedOcc 0
25 mol 133 unq 2 iso 0 dist 8.29673 5.78974 7.24514 9.35671 8.22656 6.65743 6.53153 6.761 9.91388 10.0372 numMergedOcc 0
26 mol 133 unq 3 iso 0 dist 8.29673 5.78974 7.24514 9.35671 8.22656 6.65743 6.29975 7.6656 9.52634 13.4163 numMergedOcc 0
27 mol 133 unq 4 iso 0 dist 8.29673 9.35671 8.22656 5.78974 7.24514 6.65743 11.5292 5.61668 6.82262 10.2995 numMergedOcc 0
28 mol 133 unq 5 iso 0 dist 8.94909 6.80087 8.00618 8.76089 7.11802 8.18495 12.8006 11.965 6.29155 13.268 numMergedOcc 0
29 mol 133 unq 6 iso 0 dist 8.94909 6.80087 8.00618 8.76089 7.11802 8.18495 9.73536 7.79672 6.80239 12.6651 numMergedOcc 0
30 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 4.82496 8.87437 5.49936 9.0847 5.42328 6.70283 7.16148 numMergedOcc 0
31 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 4.82496 8.87437 5.49936 6.00061 5.54906 8.67331 8.05741 numMergedOcc 0
32 mol 152 unq 2 iso 0 dist 9.37459 4.82496 8.87437 8.41711 5.87555 5.49936 9.0847 5.42328 7.16148 6.70283 numMergedOcc 0
33 mol 152 unq 3 iso 0 dist 9.37459 4.82496 8.87437 8.41711 5.87555 5.49936 6.00061 5.54906 8.05741 8.67331 numMergedOcc 0
34 mol 152 unq 4 iso 0 dist 9.0847 8.41711 6.70283 14.8573 8.56324 7.65448 9.37459 5.42328 5.87555 10.399 numMergedOcc 0
35 mol 152 unq 5 iso 0 dist 9.0847 8.41711 6.70283 14.8573 8.56324 7.65448 6.00061 6.4896 8.67331 14.1618 numMergedOcc 0
36 mol 152 unq 6 iso 0 dist 9.0847 8.41711 6.70283 4.82496 7.16148 5.49936 9.37459 5.42328 5.87555 8.87437 numMergedOcc 0
37 mol 152 unq 7 iso 0 dist 9.0847 8.41711 6.70283 4.82496 7.16148 5.49936 6.00061 6.4896 8.67331 8.05741 numMergedOcc 0
38 mol 152 unq 8 iso 0 dist 9.0847 4.82496 7.16148 14.8573 8.56324 10.6875 9.37459 5.42328 8.87437 10.399 numMergedOcc 0
39 mol 152 unq 9 iso 0 dist 9.0847 4.82496 7.16148 14.8573 8.56324 10.6875 6.00061 6.4896 8.05741 14.1618 numMergedOcc 0
40 mol 152 unq 10 iso 0 dist 9.0847 4.82496 7.16148 8.41711 6.70283 5.49936 9.37459 5.42328 8.87437 5.87555 numMergedOcc 0
41 mol 152 unq 11 iso 0 dist 9.0847 4.82496 7.16148 8.41711 6.70283 5.49936 6.00061 6.4896 8.05741 8.67331 numMergedOcc 0
42 mol 152 unq 12 iso 0 dist 6.00061 8.41711 8.67331 4.82496 8.05741 5.49936 9.37459 5.54906 5.87555 8.87437 numMergedOcc 0
43 mol 152 unq 13 iso 0 dist 6.00061 8.41711 8.67331 4.82496 8.05741 5.49936 9.0847 6.4896 6.70283 7.16148 numMergedOcc 0
44 mol 152 unq 14 iso 0 dist 6.00061 4.82496 8.05741 8.41711 8.67331 5.49936 9.37459 5.54906 8.87437 5.87555 numMergedOcc 0
45 mol 152 unq 15 iso 0 dist 6.00061 4.82496 8.05741 8.41711 8.67331 5.49936 9.0847 6.4896 7.16148 6.70283 numMergedOcc 0
46 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 8.63795 7.652 7.42466 12.5882 6.2715 5.6234 9.92231 numMergedOcc 0
47 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 8.63795 7.652 7.42466 15.3964 8.16421 6.57069 10.2623 numMergedOcc 0
48 mol 175 unq 2 iso 0 dist 7.94593 8.63795 7.652 13.2723 9.0018 7.42466 12.5882 6.2715 9.92231 5.6234 numMergedOcc 0
49 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 17.347 13.2049 8.03334 10.7062 numMergedOcc 0
50 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 17.347 13.2049 8.03334 14.9794 numMergedOcc 0
51 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 14.1493 9.1374 8.88798 11.5431 10.1912 9.09537 15.0228 numMergedOcc 0
52 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 5.49666 9.15386 5.16002 11.5431 10.1912 9.09537 12.9862 numMergedOcc 0
53 mol 206 unq 0 iso 0 dist 7.51923 5.1071 9.774 5.39127 8.02137 10.4 7.94694 5.63422 7.7366 11.1804 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 8.47457 8.1404 6.60589 5.15333 6.65832 6.77699 12.3857 5.0744 6.57273 10.103 numMergedOcc 0
55 mol 224 unq 1 iso 0 dist 8.47457 8.1404 6.60589 15.1783 9.16166 8.49799 12.3857 5.0744 6.57273 5.78342 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 5.15333 6.65832 11.328 12.3857 5.0744 5.78342 10.103 numMergedOcc 0
57 mol 224 unq 3 iso 0 dist 8.47457 15.1783 9.16166 5.15333 6.65832 11.328 14.6947 6.91102 5.81334 10.9745 numMergedOcc 0
58 mol 224 unq 4 iso 0 dist 8.47457 15.1783 9.16166 8.1404 6.60589 8.49799 12.3857 5.0744 5.78342 6.57273 numMergedOcc 0
59 mol 224 unq 5 iso 0 dist 8.47457 15.1783 9.16166 8.1404 6.60589 8.49799 14.6947 6.91102 5.81334 10.5128 numMergedOcc 0
60 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 9.25445 9.45496 5.88703 10.3795 6.29886 8.34494 12.9605 numMergedOcc 0
61 mol 234 unq 1 iso 0 dist 7.17032 5.44278 6.56247 9.25445 9.45496 5.88703 12.069 7.82322 9.36357 6.7625 numMergedOcc 0
62 mol 234 unq 2 iso 0 dist 7.17032 9.25445 9.45496 5.44278 6.56247 5.88703 12.069 7.82322 6.7625 9.36357 numMergedOcc 0
63 mol 234 unq 3 iso 0 dist 6.15754 12.4455 6.56247 11.8245 8.34494 6.29886 8.9413 5.88703 9.45496 12.9605 numMergedOcc 0
64 mol 234 unq 4 iso 0 dist 6.15754 12.4455 6.56247 14.0876 9.36357 7.82322 8.9413 5.88703 9.45496 6.7625 numMergedOcc 0
65 mol 234 unq 5 iso 0 dist 6.15754 14.0876 9.36357 11.8245 8.34494 12.1694 8.9413 5.88703 6.7625 12.9605 numMergedOcc 0
66 mol 234 unq 6 iso 0 dist 6.15754 14.0876 9.36357 12.4455 6.56247 7.82322 8.9413 5.88703 6.7625 9.45496 numMergedOcc 0
67 mol 234 unq 7 iso 0 dist 6.6281 10.0624 6.56247 6.65785 8.34494 6.29886 11.5469 5.88703 9.45496 12.9605 numMergedOcc 0
68 mol 234 unq 8 iso 0 dist 6.6281 10.0624 6.56247 13.9869 9.36357 7.82322 11.5469 5.88703 9.45496 6.7625 numMergedOcc 0
69 mol 234 unq 9 iso 0 dist 6.6281 13.9869 9.36357 6.65785 8.34494 12.1694 11.5469 5.88703 6.7625 12.9605 numMergedOcc 0
70 mol 234 unq 10 iso 0 dist 6.6281 13.9869 9.36357 10.0624 6.56247 7.82322 11.5469 5.88703 6.7625 9.45496 numMergedOcc 0
71 mol 234 unq 11 iso 0 dist 8.9413 12.4455 9.45496 14.0876 6.7625 7.82322 6.15754 5.88703 6.56247 9.36357 numMergedOcc 0
72 mol 234 unq 12 iso 0 dist 8.9413 14.0876 6.7625 12.4455 9.45496 7.82322 6.15754 5.88703 9.36357 6.56247 numMergedOcc 0
73 mol 234 unq 13 iso 0 dist 4.91961 11.5103 9.45496 4.98993 6.7625 7.82322 10.2233 5.88703 6.56247 9.36357 numMergedOcc 0
74 mol 234 unq 14 iso 0 dist 4.91961 4.98993 6.7625 11.5103 9.45496 7.82322 10.2233 5.88703 9.36357 6.56247 numMergedOcc 0
75 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 13.3575 7.68742 5.79505 11.0371 7.28249 8.03456 6.84306 numMergedOcc 0
76 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 5.03598 6.27581 9.90963 11.0371 7.28249 8.03456 9.99038 numMergedOcc 0
77 mol 236 unq 2 iso 0 dist 5.99137 13.3575 7.68742 13.7629 9.81562 5.79505 11.0371 7.28249 6.84306 8.03456 numMergedOcc 0
78 mol 236 unq 3 iso 0 dist 5.99137 13.3575 7.68742 5.03598 6.27581 11.3368 11.0371 7.28249 6.84306 9.99038 numMergedOcc 0
79 mol 236 unq 4 iso 0 dist 5.99137 5.03598 6.27581 13.7629 9.81562 9.90963 11.0371 7.28249 9.99038 8.03456 numMergedOcc 0
80 mol 236 unq 5 iso 0 dist 5.99137 5.03598 6.27581 13.3575 7.68742 11.3368 11.0371 7.28249 9.99038 6.84306 numMergedOcc 0
81 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 5.48552 8.53687 10.582 6.20344 4.69778 7.88519 10.5767 numMergedOcc 0
82 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 5.29682 4.69778 8.13497 9.95973 numMergedOcc 0
83 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 5.29682 4.69778 8.13497 10.3935 numMergedOcc 0
84 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 5.29682 4.69778 8.13497 12.6839 numMergedOcc 0
85 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 5.85483 7.73141 10.1239 10.2299 10.0727 8.02547 14.2688 numMergedOcc 0
86 mol 261 unq 1 iso 0 dist 6.85589 4.31412 8.43057 5.85483 7.73141 10.1239 6.68878 4.63549 6.05727 10.0703 numMergedOcc 0
