0 mol 19 unq 0 iso 0 dist 8.4674 4.54938 7.67038 7.82074 10.3915 5.03957 5.80928 4.51865 6.864 11.0366 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.80928 6.864 4.51865 11.0366 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 6.864 5.80928 7.20519 7.34551 7.07775 7.67038 8.4674 4.51865 10.4091 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.864 4.54938 5.80928 7.20519 7.07775 7.34551 7.67038 4.51865 8.4674 10.4091 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.47541 7.66905 5.42586 5.73196 6.87425 10.1164 6.9948 7.97049 6.19965 11.2656 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 6.9948 6.19965 7.97049 11.2656 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 7.95579 4.26409 10.7229 5.42586 7.97049 7.47541 11.3023 numMergedOcc 0
7 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 5.42586 7.47541 7.97049 11.3023 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.60661 9.35224 7.80879 7.17106 11.5403 8.87654 5.88134 6.65086 6.56369 10.5134 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 9.35224 9.60661 7.80879 7.17106 8.87654 11.5403 5.88134 6.56369 6.65086 10.5134 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 6.65086 6.56369 7.80879 7.47343 8.8807 12.6515 5.88134 9.60661 9.35224 12.0662 numMergedOcc 0
11 mol 100 unq 1 iso 1 dist 6.56369 6.65086 7.80879 7.47343 12.6515 8.8807 5.88134 9.35224 9.60661 12.0662 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 6.65086 6.56369 7.80879 9.30209 5.38414 6.39938 5.88134 9.60661 9.35224 10.5853 numMergedOcc 0
13 mol 100 unq 2 iso 1 dist 6.56369 6.65086 7.80879 9.30209 6.39938 5.38414 5.88134 9.35224 9.60661 10.5853 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.83991 7.88312 8.02349 7.30858 10.8507 11.5723 7.69052 9.33865 6.11741 13.8473 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 7.88312 5.83991 8.02349 7.30858 11.5723 10.8507 7.69052 6.11741 9.33865 13.8473 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 6.81259 9.86662 9.71307 12.5075 numMergedOcc 0
17 mol 134 unq 0 iso 1 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 numMergedOcc 0
18 mol 142 unq 0 iso 0 dist 9.2313 7.73169 5.50998 8.96657 11.1395 5.92693 5.32922 5.31024 7.26382 11.0824 numMergedOcc 0
19 mol 142 unq 0 iso 1 dist 7.73169 9.2313 5.50998 8.96657 5.92693 11.1395 5.32922 7.26382 5.31024 11.0824 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 5.87555 6.70283 5.42328 8.67331 5.54906 6.4896 5.49936 8.87437 7.16148 8.05741 numMergedOcc 0
21 mol 152 unq 0 iso 1 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 5.49936 7.16148 8.87437 8.05741 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 5.87555 8.67331 5.54906 6.70283 5.42328 6.4896 5.49936 8.87437 8.05741 7.16148 numMergedOcc 0
23 mol 152 unq 1 iso 1 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 5.49936 8.05741 8.87437 7.16148 numMergedOcc 0
24 mol 152 unq 2 iso 0 dist 8.87437 7.16148 5.42328 8.05741 5.54906 6.4896 5.49936 5.87555 6.70283 8.67331 numMergedOcc 0
25 mol 152 unq 2 iso 1 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 5.49936 6.70283 5.87555 8.67331 numMergedOcc 0
26 mol 152 unq 3 iso 0 dist 8.87437 8.05741 5.54906 7.16148 5.42328 6.4896 5.49936 5.87555 8.67331 6.70283 numMergedOcc 0
27 mol 152 unq 3 iso 1 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 5.49936 8.67331 5.87555 6.70283 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 6.70283 8.67331 6.4896 5.87555 5.42328 5.54906 5.49936 7.16148 8.05741 8.87437 numMergedOcc 0
29 mol 152 unq 1 iso 1 dist 8.67331 6.70283 6.4896 5.87555 5.54906 5.42328 5.49936 8.05741 7.16148 8.87437 numMergedOcc 0
30 mol 152 unq 2 iso 0 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 5.42328 5.87555 8.87437 10.399 numMergedOcc 0
31 mol 152 unq 2 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 5.42328 8.87437 5.87555 10.399 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 6.4896 8.67331 8.05741 14.1618 numMergedOcc 0
33 mol 152 unq 3 iso 1 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 6.4896 8.05741 8.67331 14.1618 numMergedOcc 0
34 mol 152 unq 3 iso 0 dist 7.16148 8.05741 6.4896 8.87437 5.42328 5.54906 5.49936 6.70283 8.67331 5.87555 numMergedOcc 0
35 mol 152 unq 3 iso 1 dist 8.05741 7.16148 6.4896 8.87437 5.54906 5.42328 5.49936 8.67331 6.70283 5.87555 numMergedOcc 0
36 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 6.57069 8.16421 5.35493 7.42466 7.652 9.92231 10.2623 numMergedOcc 0
37 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 6.57069 5.35493 8.16421 7.42466 9.92231 7.652 10.2623 numMergedOcc 0
38 mol 224 unq 0 iso 0 dist 6.57273 5.78342 8.49799 8.95269 4.70378 11.5372 5.0744 6.60589 9.16166 9.99123 numMergedOcc 0
39 mol 224 unq 0 iso 1 dist 5.78342 6.57273 8.49799 8.95269 11.5372 4.70378 5.0744 9.16166 6.60589 9.99123 numMergedOcc 0
40 mol 224 unq 1 iso 0 dist 6.60589 9.16166 8.49799 6.65832 6.77699 11.328 5.0744 6.57273 5.78342 10.103 numMergedOcc 0
41 mol 224 unq 1 iso 1 dist 9.16166 6.60589 8.49799 6.65832 11.328 6.77699 5.0744 5.78342 6.57273 10.103 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 5.78342 9.16166 5.0744 5.81334 5.60236 6.91102 8.49799 6.57273 6.60589 10.5128 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 9.16166 5.78342 5.0744 5.81334 6.91102 5.60236 8.49799 6.60589 6.57273 10.5128 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 6.56247 9.36357 7.82322 8.34494 6.29886 12.1694 5.88703 9.45496 6.7625 12.9605 numMergedOcc 0
45 mol 234 unq 0 iso 1 dist 9.36357 6.56247 7.82322 8.34494 12.1694 6.29886 5.88703 6.7625 9.45496 12.9605 numMergedOcc 0
46 mol 236 unq 0 iso 0 dist 8.03456 6.84306 5.79505 9.99038 9.90963 11.3368 7.28249 9.81562 7.68742 6.27581 numMergedOcc 0
47 mol 236 unq 0 iso 1 dist 6.84306 8.03456 5.79505 9.99038 11.3368 9.90963 7.28249 7.68742 9.81562 6.27581 numMergedOcc 0
48 mol 236 unq 1 iso 0 dist 8.03456 6.84306 5.79505 9.78037 6.96005 11.8739 7.28249 9.81562 7.68742 13.499 numMergedOcc 0
49 mol 236 unq 1 iso 1 dist 6.84306 8.03456 5.79505 9.78037 11.8739 6.96005 7.28249 7.68742 9.81562 13.499 numMergedOcc 0
50 mol 236 unq 2 iso 0 dist 8.03456 6.84306 5.79505 8.35971 14.2337 14.7998 7.28249 9.81562 7.68742 11.2141 numMergedOcc 0
51 mol 236 unq 2 iso 1 dist 6.84306 8.03456 5.79505 8.35971 14.7998 14.2337 7.28249 7.68742 9.81562 11.2141 numMergedOcc 0
52 mol 236 unq 3 iso 0 dist 8.03456 9.99038 9.90963 6.84306 5.79505 11.3368 7.28249 9.81562 6.27581 7.68742 numMergedOcc 0
53 mol 236 unq 3 iso 1 dist 9.99038 8.03456 9.90963 6.84306 11.3368 5.79505 7.28249 6.27581 9.81562 7.68742 numMergedOcc 0
54 mol 236 unq 4 iso 0 dist 8.03456 9.99038 9.90963 9.78037 6.96005 11.1557 7.28249 9.81562 6.27581 13.499 numMergedOcc 0
55 mol 236 unq 4 iso 1 dist 9.99038 8.03456 9.90963 9.78037 11.1557 6.96005 7.28249 6.27581 9.81562 13.499 numMergedOcc 0
56 mol 236 unq 5 iso 0 dist 8.03456 9.99038 9.90963 8.35971 14.2337 10.7497 7.28249 9.81562 6.27581 11.2141 numMergedOcc 0
57 mol 236 unq 5 iso 1 dist 9.99038 8.03456 9.90963 8.35971 10.7497 14.2337 7.28249 6.27581 9.81562 11.2141 numMergedOcc 0
58 mol 236 unq 3 iso 0 dist 6.84306 9.99038 11.3368 8.03456 5.79505 9.90963 7.28249 7.68742 6.27581 9.81562 numMergedOcc 0
59 mol 236 unq 3 iso 1 dist 9.99038 6.84306 11.3368 8.03456 9.90963 5.79505 7.28249 6.27581 7.68742 9.81562 numMergedOcc 0
60 mol 236 unq 4 iso 0 dist 6.84306 9.99038 11.3368 9.78037 11.8739 11.1557 7.28249 7.68742 6.27581 13.499 numMergedOcc 0
61 mol 236 unq 4 iso 1 dist 9.99038 6.84306 11.3368 9.78037 11.1557 11.8739 7.28249 6.27581 7.68742 13.499 numMergedOcc 0
62 mol 236 unq 5 iso 0 dist 6.84306 9.99038 11.3368 8.35971 14.7998 10.7497 7.28249 7.68742 6.27581 11.2141 numMergedOcc 0
63 mol 236 unq 5 iso 1 dist 9.99038 6.84306 11.3368 8.35971 10.7497 14.7998 7.28249 6.27581 7.68742 11.2141 numMergedOcc 0
64 mol 236 unq 6 iso 0 dist 9.81562 7.68742 5.79505 6.27581 9.90963 11.3368 7.28249 8.03456 6.84306 9.99038 numMergedOcc 0
65 mol 236 unq 6 iso 1 dist 7.68742 9.81562 5.79505 6.27581 11.3368 9.90963 7.28249 6.84306 8.03456 9.99038 numMergedOcc 0
66 mol 236 unq 7 iso 0 dist 9.81562 6.27581 9.90963 7.68742 5.79505 11.3368 7.28249 8.03456 9.99038 6.84306 numMergedOcc 0
67 mol 236 unq 7 iso 1 dist 6.27581 9.81562 9.90963 7.68742 11.3368 5.79505 7.28249 9.99038 8.03456 6.84306 numMergedOcc 0
68 mol 236 unq 7 iso 0 dist 7.68742 6.27581 11.3368 9.81562 5.79505 9.90963 7.28249 6.84306 9.99038 8.03456 numMergedOcc 0
69 mol 236 unq 7 iso 1 dist 6.27581 7.68742 11.3368 9.81562 9.90963 5.79505 7.28249 9.99038 6.84306 8.03456 numMergedOcc 0
70 mol 252 unq 0 iso 0 dist 8.33025 9.2288 8.41807 7.19638 14.9102 11.7918 6.0987 8.1148 8.1715 10.5136 numMergedOcc 0
71 mol 252 unq 0 iso 1 dist 9.2288 8.33025 8.41807 7.19638 11.7918 14.9102 6.0987 8.1715 8.1148 10.5136 numMergedOcc 0
