0 mol 85 unq 0 iso 0 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 14.1017 15.309 10.7229 7.95579 10.8225 11.2656 6.9948 6.19965 4.26409 numMergedOcc 0
1 mol 85 unq 0 iso 1 dist 7.59073 4.53858 5.73196 11.7649 10.1164 7.66905 10.8225 11.2656 6.9948 6.19965 14.1017 15.309 10.7229 7.95579 4.26409 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 22.5988 16.9836 16.6055 9.03572 24.1089 16.9811 13.8105 8.83255 6.59319 numMergedOcc 0
3 mol 95 unq 0 iso 1 dist 9.17862 15.821 7.27724 15.8862 8.41707 8.03644 24.1089 16.9811 13.8105 8.83255 22.5988 16.9836 16.6055 9.03572 6.59319 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 24.4415 16.9836 16.6055 9.03572 22.951 16.9811 13.8105 8.83255 6.59319 numMergedOcc 0
5 mol 95 unq 1 iso 1 dist 8.27456 9.7565 7.27724 15.5421 8.41707 8.03644 22.951 16.9811 13.8105 8.83255 24.4415 16.9836 16.6055 9.03572 6.59319 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 17.2604 13.8473 10.8507 7.30858 6.8104 6.11741 8.02349 7.88312 11.5723 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 5.22628 10.0419 9.33865 11.2519 7.69052 5.83991 6.8104 6.11741 8.02349 7.88312 17.2604 13.8473 10.8507 7.30858 11.5723 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 17.2604 13.8473 11.5723 7.30858 10.0419 9.33865 8.02349 5.83991 10.8507 numMergedOcc 0
9 mol 115 unq 1 iso 1 dist 5.22628 6.8104 6.11741 11.2519 7.69052 7.88312 10.0419 9.33865 8.02349 5.83991 17.2604 13.8473 11.5723 7.30858 10.8507 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 10.7342 16.5575 7.22206 7.83136 14.3217 17.163 9.3584 7.0603 7.21564 numMergedOcc 0
11 mol 117 unq 0 iso 1 dist 9.60425 5.17524 9.84395 12.6233 13.1058 7.90328 14.3217 17.163 9.3584 7.0603 10.7342 16.5575 7.22206 7.83136 7.21564 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.05674 4.32516 6.5107 12.2159 9.56949 9.52634 4.82833 9.66421 6.69554 9.91388 8.58958 12.0352 7.6656 7.24514 6.761 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 9.05674 4.32516 6.5107 12.2159 9.56949 9.52634 8.58958 12.0352 7.6656 7.24514 4.82833 9.66421 6.69554 9.91388 6.761 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 14.8573 10.399 7.65448 8.56324 4.82496 8.87437 5.49936 7.16148 10.6875 numMergedOcc 0
15 mol 152 unq 0 iso 1 dist 9.37459 8.41711 5.87555 9.0847 5.42328 6.70283 4.82496 8.87437 5.49936 7.16148 14.8573 10.399 7.65448 8.56324 10.6875 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 14.8573 10.399 10.6875 8.56324 8.41711 5.87555 5.49936 6.70283 7.65448 numMergedOcc 0
17 mol 152 unq 1 iso 1 dist 9.37459 4.82496 8.87437 9.0847 5.42328 7.16148 8.41711 5.87555 5.49936 6.70283 14.8573 10.399 10.6875 8.56324 7.65448 numMergedOcc 0
18 mol 152 unq 2 iso 0 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 14.8573 14.1618 7.65448 8.56324 4.82496 8.05741 5.49936 7.16148 10.6875 numMergedOcc 0
19 mol 152 unq 2 iso 1 dist 6.00061 8.41711 8.67331 9.0847 6.4896 6.70283 4.82496 8.05741 5.49936 7.16148 14.8573 14.1618 7.65448 8.56324 10.6875 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 14.8573 14.1618 10.6875 8.56324 8.41711 8.67331 5.49936 6.70283 7.65448 numMergedOcc 0
21 mol 152 unq 3 iso 1 dist 6.00061 4.82496 8.05741 9.0847 6.4896 7.16148 8.41711 8.67331 5.49936 6.70283 14.8573 14.1618 10.6875 8.56324 7.65448 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 11.8576 9.99123 5.0744 9.16166 14.6141 14.0676 5.60236 5.81334 6.91102 numMergedOcc 0
23 mol 224 unq 0 iso 1 dist 9.61379 9.57016 8.95269 14.3448 11.5372 5.78342 14.6141 14.0676 5.60236 5.81334 11.8576 9.99123 5.0744 9.16166 6.91102 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 10.5254 9.99123 4.70378 8.95269 15.1783 9.16166 8.49799 5.78342 11.5372 numMergedOcc 0
25 mol 224 unq 1 iso 1 dist 8.47457 8.1404 6.60589 12.3857 5.0744 6.57273 15.1783 9.16166 8.49799 5.78342 10.5254 9.99123 4.70378 8.95269 11.5372 numMergedOcc 0
26 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 10.5254 9.99123 11.5372 8.95269 8.1404 6.60589 8.49799 6.57273 4.70378 numMergedOcc 0
27 mol 224 unq 2 iso 1 dist 8.47457 15.1783 9.16166 12.3857 5.0744 5.78342 8.1404 6.60589 8.49799 6.57273 10.5254 9.99123 11.5372 8.95269 4.70378 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 11.8245 12.9605 6.29886 8.34494 14.0876 6.7625 7.82322 9.36357 12.1694 numMergedOcc 0
29 mol 234 unq 0 iso 1 dist 8.9413 12.4455 9.45496 6.15754 5.88703 6.56247 14.0876 6.7625 7.82322 9.36357 11.8245 12.9605 6.29886 8.34494 12.1694 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 11.8245 12.9605 12.1694 8.34494 12.4455 9.45496 7.82322 6.56247 6.29886 numMergedOcc 0
31 mol 234 unq 1 iso 1 dist 8.9413 14.0876 6.7625 6.15754 5.88703 9.36357 12.4455 9.45496 7.82322 6.56247 11.8245 12.9605 12.1694 8.34494 6.29886 numMergedOcc 0
32 mol 234 unq 2 iso 0 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 15.5616 12.9605 6.29886 8.34494 4.98993 6.7625 7.82322 9.36357 12.1694 numMergedOcc 0
33 mol 234 unq 2 iso 1 dist 4.91961 11.5103 9.45496 10.2233 5.88703 6.56247 4.98993 6.7625 7.82322 9.36357 15.5616 12.9605 6.29886 8.34494 12.1694 numMergedOcc 0
34 mol 234 unq 3 iso 0 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 15.5616 12.9605 12.1694 8.34494 11.5103 9.45496 7.82322 6.56247 6.29886 numMergedOcc 0
35 mol 234 unq 3 iso 1 dist 4.91961 4.98993 6.7625 10.2233 5.88703 9.36357 11.5103 9.45496 7.82322 6.56247 15.5616 12.9605 12.1694 8.34494 6.29886 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 13.3575 7.68742 5.79505 6.84306 5.03598 6.27581 9.90963 9.99038 11.3368 numMergedOcc 0
37 mol 236 unq 0 iso 1 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 5.03598 6.27581 9.90963 9.99038 13.3575 7.68742 5.79505 6.84306 11.3368 numMergedOcc 0
38 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 13.3575 7.68742 5.79505 6.84306 15.1659 13.499 6.96005 9.78037 11.8739 numMergedOcc 0
39 mol 236 unq 1 iso 1 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 15.1659 13.499 6.96005 9.78037 13.3575 7.68742 5.79505 6.84306 11.8739 numMergedOcc 0
40 mol 236 unq 2 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 13.3575 7.68742 5.79505 6.84306 10.2037 11.2141 14.2337 8.35971 14.7998 numMergedOcc 0
41 mol 236 unq 2 iso 1 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 10.2037 11.2141 14.2337 8.35971 13.3575 7.68742 5.79505 6.84306 14.7998 numMergedOcc 0
42 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 5.03598 6.27581 9.90963 9.99038 15.1659 13.499 6.96005 9.78037 11.1557 numMergedOcc 0
43 mol 236 unq 1 iso 1 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 15.1659 13.499 6.96005 9.78037 5.03598 6.27581 9.90963 9.99038 11.1557 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 5.03598 6.27581 9.90963 9.99038 10.2037 11.2141 14.2337 8.35971 10.7497 numMergedOcc 0
45 mol 236 unq 2 iso 1 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 10.2037 11.2141 14.2337 8.35971 5.03598 6.27581 9.90963 9.99038 10.7497 numMergedOcc 0
46 mol 236 unq 2 iso 0 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 15.1659 13.499 6.96005 9.78037 10.2037 11.2141 14.2337 8.35971 12.0369 numMergedOcc 0
47 mol 236 unq 2 iso 1 dist 5.99137 13.7629 9.81562 11.0371 7.28249 8.03456 10.2037 11.2141 14.2337 8.35971 15.1659 13.499 6.96005 9.78037 12.0369 numMergedOcc 0
48 mol 236 unq 3 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 13.7629 9.81562 5.79505 8.03456 5.03598 6.27581 11.3368 9.99038 9.90963 numMergedOcc 0
49 mol 236 unq 3 iso 1 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 5.03598 6.27581 11.3368 9.99038 13.7629 9.81562 5.79505 8.03456 9.90963 numMergedOcc 0
50 mol 236 unq 4 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 13.7629 9.81562 5.79505 8.03456 15.1659 13.499 11.8739 9.78037 6.96005 numMergedOcc 0
51 mol 236 unq 4 iso 1 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 15.1659 13.499 11.8739 9.78037 13.7629 9.81562 5.79505 8.03456 6.96005 numMergedOcc 0
52 mol 236 unq 5 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 13.7629 9.81562 5.79505 8.03456 10.2037 11.2141 14.7998 8.35971 14.2337 numMergedOcc 0
53 mol 236 unq 5 iso 1 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 10.2037 11.2141 14.7998 8.35971 13.7629 9.81562 5.79505 8.03456 14.2337 numMergedOcc 0
54 mol 236 unq 4 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 5.03598 6.27581 11.3368 9.99038 15.1659 13.499 11.8739 9.78037 11.1557 numMergedOcc 0
55 mol 236 unq 4 iso 1 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 15.1659 13.499 11.8739 9.78037 5.03598 6.27581 11.3368 9.99038 11.1557 numMergedOcc 0
56 mol 236 unq 5 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 5.03598 6.27581 11.3368 9.99038 10.2037 11.2141 14.7998 8.35971 10.7497 numMergedOcc 0
57 mol 236 unq 5 iso 1 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 10.2037 11.2141 14.7998 8.35971 5.03598 6.27581 11.3368 9.99038 10.7497 numMergedOcc 0
58 mol 236 unq 5 iso 0 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 15.1659 13.499 11.8739 9.78037 10.2037 11.2141 14.7998 8.35971 12.0369 numMergedOcc 0
59 mol 236 unq 5 iso 1 dist 5.99137 13.3575 7.68742 11.0371 7.28249 6.84306 10.2037 11.2141 14.7998 8.35971 15.1659 13.499 11.8739 9.78037 12.0369 numMergedOcc 0
60 mol 236 unq 6 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.7629 9.81562 9.90963 8.03456 13.3575 7.68742 11.3368 6.84306 5.79505 numMergedOcc 0
61 mol 236 unq 6 iso 1 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.3575 7.68742 11.3368 6.84306 13.7629 9.81562 9.90963 8.03456 5.79505 numMergedOcc 0
62 mol 236 unq 7 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.7629 9.81562 9.90963 8.03456 15.1659 13.499 11.1557 9.78037 6.96005 numMergedOcc 0
63 mol 236 unq 7 iso 1 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 15.1659 13.499 11.1557 9.78037 13.7629 9.81562 9.90963 8.03456 6.96005 numMergedOcc 0
64 mol 236 unq 8 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.7629 9.81562 9.90963 8.03456 10.2037 11.2141 10.7497 8.35971 14.2337 numMergedOcc 0
65 mol 236 unq 8 iso 1 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 10.2037 11.2141 10.7497 8.35971 13.7629 9.81562 9.90963 8.03456 14.2337 numMergedOcc 0
66 mol 236 unq 7 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.3575 7.68742 11.3368 6.84306 15.1659 13.499 11.1557 9.78037 11.8739 numMergedOcc 0
67 mol 236 unq 7 iso 1 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 15.1659 13.499 11.1557 9.78037 13.3575 7.68742 11.3368 6.84306 11.8739 numMergedOcc 0
68 mol 236 unq 8 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 13.3575 7.68742 11.3368 6.84306 10.2037 11.2141 10.7497 8.35971 14.7998 numMergedOcc 0
69 mol 236 unq 8 iso 1 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 10.2037 11.2141 10.7497 8.35971 13.3575 7.68742 11.3368 6.84306 14.7998 numMergedOcc 0
70 mol 236 unq 8 iso 0 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 15.1659 13.499 11.1557 9.78037 10.2037 11.2141 10.7497 8.35971 12.0369 numMergedOcc 0
71 mol 236 unq 8 iso 1 dist 5.99137 5.03598 6.27581 11.0371 7.28249 9.99038 10.2037 11.2141 10.7497 8.35971 15.1659 13.499 11.1557 9.78037 12.0369 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 6.08432 9.95973 4.86771 7.84554 10.3156 10.3935 6.96053 7.46176 7.64658 numMergedOcc 0
73 mol 259 unq 0 iso 1 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 10.3156 10.3935 6.96053 7.46176 6.08432 9.95973 4.86771 7.84554 7.64658 numMergedOcc 0
74 mol 259 unq 1 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 6.08432 9.95973 4.86771 7.84554 9.55719 12.6839 10.4881 9.18903 5.87173 numMergedOcc 0
75 mol 259 unq 1 iso 1 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 9.55719 12.6839 10.4881 9.18903 6.08432 9.95973 4.86771 7.84554 5.87173 numMergedOcc 0
76 mol 259 unq 1 iso 0 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 10.3156 10.3935 6.96053 7.46176 9.55719 12.6839 10.4881 9.18903 10.5239 numMergedOcc 0
77 mol 259 unq 1 iso 1 dist 5.29682 5.56656 8.13497 6.20344 4.69778 7.88519 9.55719 12.6839 10.4881 9.18903 10.3156 10.3935 6.96053 7.46176 10.5239 numMergedOcc 0
