0 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 9.03359 8.04924 5.60154 6.49896 5.55437 11.0722 6.81435 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 5.04036 5.6314 5.78148 11.1067 8.00865 13.1699 10.6435 9.10587 10.9884 7.65383 numMergedOcc 0
2 mol 13 unq 1 iso 0 dist 5.04036 5.6314 5.78148 13.4623 9.11447 11.1987 10.6435 9.10587 10.9884 8.58799 numMergedOcc 0
3 mol 13 unq 2 iso 0 dist 5.04036 4.17261 6.26071 11.1067 8.00865 10.5634 10.6435 9.10587 7.39275 7.65383 numMergedOcc 0
4 mol 13 unq 3 iso 0 dist 5.04036 4.17261 6.26071 13.4623 9.11447 12.0488 10.6435 9.10587 7.39275 8.58799 numMergedOcc 0
5 mol 13 unq 4 iso 0 dist 5.04036 6.68749 8.43325 11.1067 8.00865 8.66829 10.6435 9.10587 7.82977 7.65383 numMergedOcc 0
6 mol 13 unq 5 iso 0 dist 5.04036 6.68749 8.43325 13.4623 9.11447 14.2112 10.6435 9.10587 7.82977 8.58799 numMergedOcc 0
7 mol 13 unq 6 iso 0 dist 9.44958 11.3605 5.78148 11.4587 8.00865 13.1699 12.1708 9.10587 10.9884 7.65383 numMergedOcc 0
8 mol 13 unq 7 iso 0 dist 9.44958 11.3605 5.78148 4.14738 9.11447 11.1987 12.1708 9.10587 10.9884 8.58799 numMergedOcc 0
9 mol 13 unq 8 iso 0 dist 9.44958 13.8587 6.26071 11.4587 8.00865 10.5634 12.1708 9.10587 7.39275 7.65383 numMergedOcc 0
10 mol 13 unq 9 iso 0 dist 9.44958 13.8587 6.26071 4.14738 9.11447 12.0488 12.1708 9.10587 7.39275 8.58799 numMergedOcc 0
11 mol 13 unq 10 iso 0 dist 9.44958 16.4369 8.43325 11.4587 8.00865 8.66829 12.1708 9.10587 7.82977 7.65383 numMergedOcc 0
12 mol 13 unq 11 iso 0 dist 9.44958 16.4369 8.43325 4.14738 9.11447 14.2112 12.1708 9.10587 7.82977 8.58799 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 12.5605 7.85041 8.58164 8.02579 5.51624 11.6865 9.97157 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 12.5605 7.85041 8.58164 12.3147 7.8674 12.2598 8.01991 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 8.42713 15.232 9.12858 12.5605 7.85041 9.67788 8.02579 5.51624 7.64463 9.97157 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 8.42713 15.232 9.12858 12.5605 7.85041 9.67788 12.3147 7.8674 14.8533 8.01991 numMergedOcc 0
17 mol 93 unq 4 iso 0 dist 8.42713 12.5871 9.4523 12.5605 7.85041 5.33106 8.02579 5.51624 8.29171 9.97157 numMergedOcc 0
18 mol 93 unq 5 iso 0 dist 8.42713 12.5871 9.4523 12.5605 7.85041 5.33106 12.3147 7.8674 12.7936 8.01991 numMergedOcc 0
19 mol 93 unq 6 iso 0 dist 8.21032 6.25741 9.81831 10.878 7.85041 8.58164 12.1011 5.51624 11.6865 9.97157 numMergedOcc 0
20 mol 93 unq 7 iso 0 dist 8.21032 6.25741 9.81831 10.878 7.85041 8.58164 9.97789 7.8674 12.2598 8.01991 numMergedOcc 0
21 mol 93 unq 8 iso 0 dist 8.21032 10.0172 9.12858 10.878 7.85041 9.67788 12.1011 5.51624 7.64463 9.97157 numMergedOcc 0
22 mol 93 unq 9 iso 0 dist 8.21032 10.0172 9.12858 10.878 7.85041 9.67788 9.97789 7.8674 14.8533 8.01991 numMergedOcc 0
23 mol 93 unq 10 iso 0 dist 8.21032 13.6269 9.4523 10.878 7.85041 5.33106 12.1011 5.51624 8.29171 9.97157 numMergedOcc 0
24 mol 93 unq 11 iso 0 dist 8.21032 13.6269 9.4523 10.878 7.85041 5.33106 9.97789 7.8674 12.7936 8.01991 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 4.10092 5.1101 5.08802 6.96543 9.23528 9.02993 6.29593 numMergedOcc 0
26 mol 147 unq 1 iso 0 dist 6.4752 8.95179 5.49226 4.47436 7.01133 10.1972 6.96543 9.23528 9.02993 11.2831 numMergedOcc 0
27 mol 147 unq 2 iso 0 dist 6.4752 10.5583 6.28351 4.10092 5.1101 8.59354 6.96543 9.23528 14.4247 6.29593 numMergedOcc 0
28 mol 147 unq 3 iso 0 dist 6.4752 10.5583 6.28351 4.47436 7.01133 8.54341 6.96543 9.23528 14.4247 11.2831 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 11.5684 9.77862 15.9311 11.4288 5.52678 6.66155 12.0339 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 11.5684 9.77862 15.9311 15.4624 9.81666 5.4499 18.7006 numMergedOcc 0
31 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 11.5684 9.77862 13.7758 11.4288 5.52678 6.12973 12.0339 numMergedOcc 0
32 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 11.5684 9.77862 13.7758 15.4624 9.81666 11.0239 18.7006 numMergedOcc 0
33 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 11.5684 9.77862 5.38925 11.4288 5.52678 13.0333 12.0339 numMergedOcc 0
34 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 11.5684 9.77862 5.38925 15.4624 9.81666 18.6469 18.7006 numMergedOcc 0
35 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 11.5684 9.77862 14.2415 11.4288 5.52678 10.1796 12.0339 numMergedOcc 0
36 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 11.5684 9.77862 14.2415 15.4624 9.81666 13.5457 18.7006 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 9.86462 4.29962 8.0751 6.34706 6.23898 7.35842 5.92515 8.22792 7.85475 6.08698 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 8.59036 7.29542 5.06326 7.01029 6.53728 11.5135 7.13893 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 4.71182 9.20589 9.60993 9.41039 9.56257 10.5813 8.84427 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 8.12518 12.3465 8.38865 7.51342 7.89801 13.3557 9.41039 9.56257 10.5813 5.95112 numMergedOcc 0
41 mol 227 unq 2 iso 0 dist 8.12518 7.2593 5.4694 4.71182 9.20589 5.34702 9.41039 9.56257 7.22396 8.84427 numMergedOcc 0
42 mol 227 unq 3 iso 0 dist 8.12518 7.2593 5.4694 7.51342 7.89801 8.8709 9.41039 9.56257 7.22396 5.95112 numMergedOcc 0
43 mol 237 unq 0 iso 0 dist 9.74081 4.37008 7.42587 9.68452 7.35569 5.54394 12.7987 9.84466 13.1083 16.0031 numMergedOcc 0
44 mol 237 unq 1 iso 0 dist 9.74081 4.37008 7.42587 9.68452 7.35569 5.54394 5.78318 6.16557 6.23145 10.1969 numMergedOcc 0
45 mol 237 unq 2 iso 0 dist 9.74081 4.37008 7.42587 9.68452 7.35569 5.54394 10.217 5.4813 7.11441 7.50329 numMergedOcc 0
46 mol 240 unq 0 iso 0 dist 8.44671 15.9853 9.47583 7.4874 8.33853 10.7371 10.128 9.53915 10.6074 4.4268 numMergedOcc 0
47 mol 240 unq 1 iso 0 dist 8.44671 15.9853 9.47583 3.97303 5.66537 13.9225 10.128 9.53915 10.6074 8.76585 numMergedOcc 0
48 mol 240 unq 2 iso 0 dist 8.44671 13.1893 8.44909 7.4874 8.33853 7.75407 10.128 9.53915 9.23135 4.4268 numMergedOcc 0
49 mol 240 unq 3 iso 0 dist 8.44671 13.1893 8.44909 3.97303 5.66537 12.076 10.128 9.53915 9.23135 8.76585 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 9.63193 9.42738 8.16326 5.7394 5.74568 6.84156 8.79843 numMergedOcc 0
51 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 9.63193 9.42738 12.3807 5.7394 5.74568 9.37297 8.79843 numMergedOcc 0
52 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 12.2052 9.42738 8.16326 6.63115 5.74568 6.84156 8.79843 numMergedOcc 0
53 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 12.2052 9.42738 12.3807 6.63115 5.74568 9.37297 8.79843 numMergedOcc 0
