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 5.18512 10.1882 6.92532 6.36455 9.47529 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.4674 7.82074 10.3915 4.54938 7.67038 5.03957 5.80928 4.51865 11.0366 6.864 5.18512 10.1882 6.36455 6.92532 9.47529 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 7.34551 7.20519 12.1187 10.4091 5.18512 6.92532 6.36455 10.1882 12.3486 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.80928 6.864 11.0366 4.51865 5.18512 6.92532 6.36455 10.1882 9.47529 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.20293 5.73819 5.06502 8.93915 6.45462 5.89973 8.13395 8.80331 10.5523 14.7803 5.48048 10.0649 8.44903 13.5072 7.05402 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 10.6819 6.65595 16.4714 11.1899 9.62257 10.0962 9.96399 7.55695 13.0114 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 11.3621 9.25011 17.3965 12.4656 9.62257 10.0962 9.96399 7.55695 11.343 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 6.43294 8.33063 10.1562 8.7531 5.67502 7.29309 5.51199 8.52121 13.1051 11.6311 9.62257 10.0962 9.96399 7.55695 9.79058 numMergedOcc 0
8 mol 60 unq 3 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 10.6819 6.65595 11.1899 16.4714 9.62257 10.0962 7.55695 9.96399 13.0114 numMergedOcc 0
9 mol 60 unq 4 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 11.3621 9.25011 12.4656 17.3965 9.62257 10.0962 7.55695 9.96399 11.343 numMergedOcc 0
10 mol 60 unq 5 iso 0 dist 6.43294 8.7531 5.67502 8.33063 10.1562 7.29309 5.51199 8.52121 11.6311 13.1051 9.62257 10.0962 7.55695 9.96399 9.79058 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 15.7123 9.38498 10.2049 20.257 8.26458 7.04044 8.73253 10.3244 15.7304 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 12.016 9.75218 11.6369 10.1207 8.26458 7.04044 8.73253 10.3244 8.35241 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 14.8866 16.8706 8.85586 18.0011 23.7349 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 15.7123 9.38498 20.257 10.2049 8.05119 12.4407 7.11 12.0613 20.464 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 14.8866 16.8706 8.85586 18.0011 10.6419 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 12.016 9.75218 10.1207 11.6369 8.05119 12.4407 7.11 12.0613 11.2112 numMergedOcc 0
17 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 10.121 12.3486 7.33422 14.9249 7.91778 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.19965 7.95579 4.26409 7.66905 6.9948 10.7229 5.42586 7.97049 11.3023 7.47541 5.08358 7.1589 8.00777 11.2808 6.37974 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 5.42586 7.47541 11.3023 7.97049 5.08358 11.2808 8.00777 7.1589 6.37974 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 7.66905 7.95579 10.7229 6.19965 6.9948 4.26409 10.1164 5.73196 15.309 11.2656 5.08358 11.2808 8.00777 7.1589 12.9551 numMergedOcc 0
21 mol 85 unq 4 iso 0 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 5.42586 7.47541 7.97049 11.3023 5.08358 11.2808 7.1589 8.00777 6.37974 numMergedOcc 0
22 mol 85 unq 5 iso 0 dist 7.66905 6.19965 6.9948 7.95579 10.7229 4.26409 10.1164 5.73196 11.2656 15.309 5.08358 11.2808 7.1589 8.00777 12.9551 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 14.9392 17.8663 9.00544 20.2183 18.942 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 6.65086 7.47343 8.8807 6.56369 7.80879 12.6515 5.88134 9.60661 12.0662 9.35224 12.6602 12.6061 7.12017 18.4011 14.8903 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 14.9392 17.8663 9.00544 22.6977 18.942 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 6.65086 7.47343 8.8807 9.30209 5.38414 13.887 5.88134 9.60661 12.0662 10.5853 12.6602 12.6061 7.12017 17.8494 14.8903 numMergedOcc 0
27 mol 100 unq 4 iso 0 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 14.9392 20.2183 9.00544 17.8663 18.942 numMergedOcc 0
28 mol 100 unq 5 iso 0 dist 6.56369 7.47343 12.6515 6.65086 7.80879 8.8807 5.88134 9.35224 12.0662 9.60661 12.6602 18.4011 7.12017 12.6061 14.8903 numMergedOcc 0
29 mol 100 unq 6 iso 0 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 5.88134 9.35224 12.0662 10.5853 14.9392 20.2183 9.00544 22.6977 18.942 numMergedOcc 0
30 mol 100 unq 7 iso 0 dist 6.56369 7.47343 12.6515 9.30209 6.39938 13.887 5.88134 9.35224 12.0662 10.5853 12.6602 18.4011 7.12017 17.8494 14.8903 numMergedOcc 0
31 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 7.21418 10.9766 5.74857 10.0289 6.08806 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 8.00618 6.29155 11.965 6.80239 7.79672 7.81217 8.18495 7.11802 13.268 12.6651 5.74088 10.5656 6.76699 11.1595 8.28698 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 6.81259 9.86662 12.5075 9.71307 8.46636 13.9396 5.53031 10.1537 15.2647 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.37586 8.94367 5.49782 6.49416 5.00817 8.80819 6.81259 9.71307 9.86662 12.5075 9.4027 10.873 8.20836 13.846 5.12325 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 8.94367 5.49782 8.80819 6.81259 9.71307 12.5075 9.86662 8.46636 10.1537 5.53031 13.9396 15.2647 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 5.00526 6.54501 11.9139 9.5126 9.4027 13.846 8.20836 10.873 13.1292 numMergedOcc 0
37 mol 152 unq 0 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 7.65448 8.56324 10.399 14.1618 5.59336 10.4911 8.35555 13.0858 7.2238 numMergedOcc 0
38 mol 152 unq 1 iso 0 dist 6.70283 5.87555 5.42328 8.67331 6.4896 5.54906 5.49936 7.16148 8.87437 8.05741 5.59336 10.4911 8.35555 13.0858 10.9728 numMergedOcc 0
39 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 5.42328 5.87555 10.399 8.87437 9.35627 8.28642 9.77552 13.1536 5.70788 numMergedOcc 0
40 mol 152 unq 3 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 6.4896 8.67331 14.1618 8.05741 9.35627 8.28642 9.77552 13.1536 11.2078 numMergedOcc 0
41 mol 152 unq 4 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 10.6875 8.56324 10.399 14.1618 10.9728 10.4911 8.35555 13.0858 7.2238 numMergedOcc 0
42 mol 152 unq 5 iso 0 dist 7.16148 8.87437 5.42328 8.05741 6.4896 5.54906 5.49936 6.70283 5.87555 8.67331 10.9728 10.4911 8.35555 13.0858 5.59336 numMergedOcc 0
43 mol 152 unq 6 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 5.42328 8.87437 10.399 5.87555 9.35627 13.1536 9.77552 8.28642 5.70788 numMergedOcc 0
44 mol 152 unq 7 iso 0 dist 7.16148 8.56324 10.6875 6.70283 5.49936 7.65448 6.4896 8.05741 14.1618 8.67331 9.35627 13.1536 9.77552 8.28642 11.2078 numMergedOcc 0
45 mol 152 unq 8 iso 0 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 5.42328 8.87437 5.87555 10.399 9.35627 13.1536 8.28642 9.77552 5.70788 numMergedOcc 0
46 mol 152 unq 9 iso 0 dist 7.16148 6.70283 5.49936 8.56324 10.6875 7.65448 6.4896 8.05741 8.67331 14.1618 9.35627 13.1536 8.28642 9.77552 11.2078 numMergedOcc 0
47 mol 152 unq 10 iso 0 dist 8.67331 5.87555 5.54906 6.70283 6.4896 5.42328 5.49936 8.05741 8.87437 7.16148 5.59336 13.0858 8.35555 10.4911 10.9728 numMergedOcc 0
48 mol 152 unq 11 iso 0 dist 8.05741 8.87437 5.54906 7.16148 6.4896 5.42328 5.49936 8.67331 5.87555 6.70283 10.9728 13.0858 8.35555 10.4911 5.59336 numMergedOcc 0
49 mol 186 unq 0 iso 0 dist 8.87694 7.54065 5.74635 9.70748 14.9058 13.8792 9.50685 9.09754 10.7914 18.6929 8.90184 6.85302 7.20574 18.0414 4.37002 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 4.39704 7.09863 10.8157 10.4905 11.0628 8.38865 5.4694 12.9778 12.9587 numMergedOcc 0
51 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 4.39704 7.09863 10.8157 11.0431 11.0628 8.38865 5.4694 13.9676 12.9587 numMergedOcc 0
52 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 4.39704 7.09863 10.8157 10.0334 11.0628 8.38865 5.4694 16.9219 12.9587 numMergedOcc 0
53 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 4.39704 7.09863 10.0334 10.4905 10.6244 16.0894 5.87815 13.9889 11.2778 numMergedOcc 0
54 mol 227 unq 4 iso 0 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 4.39704 7.09863 10.0334 10.8157 10.6244 16.0894 5.87815 17.8603 11.2778 numMergedOcc 0
55 mol 227 unq 5 iso 0 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 4.39704 7.09863 10.0334 11.0431 10.6244 16.0894 5.87815 10.3595 11.2778 numMergedOcc 0
56 mol 252 unq 0 iso 0 dist 8.33025 7.19638 14.9102 9.2288 8.41807 11.7918 6.0987 8.1148 10.5136 8.1715 5.25252 12.322 6.86945 12.2615 6.28227 numMergedOcc 0
57 mol 252 unq 1 iso 0 dist 9.2288 7.19638 11.7918 8.33025 8.41807 14.9102 6.0987 8.1715 10.5136 8.1148 5.25252 12.2615 6.86945 12.322 6.28227 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 7.88519 7.46176 6.96053 7.84554 4.86771 7.64658 4.69778 8.13497 10.3935 9.95973 5.60748 10.5803 8.55558 12.4037 6.1686 numMergedOcc 0
59 mol 259 unq 1 iso 0 dist 7.88519 7.46176 6.96053 9.18903 10.4881 10.5239 4.69778 8.13497 10.3935 12.6839 5.60748 10.5803 8.55558 14.4498 6.1686 numMergedOcc 0
