0 mol 0 unq 0 iso 0 dist 8.34244 6.78129 9.00092 11.1232 9.38507 6.82542 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.80193 6.44368 7.60512 9.4067 5.59658 4.76781 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.80193 6.44368 7.60512 9.14029 7.94376 3.17053 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.22361 4.15342 9.36924 12.6238 9.82851 15.8256 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.15893 12.8622 9.36924 7.97596 9.82851 15.8256 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 5.497 5.11733 6.7142 7.97596 9.11311 7.78809 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 6.24515 5.94068 8.20298 8.56189 9.02925 6.92307 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 6.24515 6.96883 6.13351 8.56189 9.02925 7.52517 numMergedOcc 0
8 mol 39 unq 2 iso 0 dist 6.47855 6.19061 8.20298 11.3851 9.02925 6.92307 numMergedOcc 0
9 mol 39 unq 3 iso 0 dist 6.47855 5.88718 6.13351 11.3851 9.02925 7.52517 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.6481 4.39445 7.58739 10.5052 6.41008 8.98585 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 7.6481 10.7557 9.01564 10.5052 6.41008 10.5853 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 7.6481 9.1083 7.11065 10.5052 6.41008 5.11422 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 9.11258 13.2208 7.58739 4.43437 6.41008 8.98585 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 9.11258 14.6599 9.01564 4.43437 6.41008 10.5853 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 9.11258 9.47022 7.11065 4.43437 6.41008 5.11422 numMergedOcc 0
16 mol 61 unq 0 iso 0 dist 7.46994 4.50442 8.60069 10.3452 9.83914 8.57997 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 9.63599 4.1859 9.77084 12.7451 7.56495 11.5615 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 9.63599 4.1859 9.77084 13.0682 7.63923 10.6375 numMergedOcc 0
19 mol 79 unq 2 iso 0 dist 9.63599 4.1859 9.77084 6.2688 8.23095 5.57609 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 9.63599 8.68431 6.5551 12.7451 7.56495 10.2908 numMergedOcc 0
21 mol 79 unq 4 iso 0 dist 9.63599 8.68431 6.5551 13.0682 7.63923 7.19532 numMergedOcc 0
22 mol 79 unq 5 iso 0 dist 9.63599 8.68431 6.5551 6.2688 8.23095 8.58888 numMergedOcc 0
23 mol 79 unq 6 iso 0 dist 7.87237 5.72646 9.09458 8.42733 8.33791 11.4347 numMergedOcc 0
24 mol 79 unq 7 iso 0 dist 7.87237 5.72646 9.09458 4.89844 7.38548 10.0358 numMergedOcc 0
25 mol 79 unq 8 iso 0 dist 7.87237 5.72646 9.09458 6.58977 8.2992 5.60343 numMergedOcc 0
26 mol 79 unq 9 iso 0 dist 7.87237 5.72646 9.09458 4.35906 6.72546 6.49084 numMergedOcc 0
27 mol 79 unq 10 iso 0 dist 8.01743 5.95598 9.77084 7.82927 7.56495 11.5615 numMergedOcc 0
28 mol 79 unq 11 iso 0 dist 8.01743 5.95598 9.77084 5.01567 7.63923 10.6375 numMergedOcc 0
29 mol 79 unq 12 iso 0 dist 8.01743 5.95598 9.77084 6.34664 8.23095 5.57609 numMergedOcc 0
30 mol 79 unq 13 iso 0 dist 8.01743 4.47084 6.5551 7.82927 7.56495 10.2908 numMergedOcc 0
31 mol 79 unq 14 iso 0 dist 8.01743 4.47084 6.5551 5.01567 7.63923 7.19532 numMergedOcc 0
32 mol 79 unq 15 iso 0 dist 8.01743 4.47084 6.5551 6.34664 8.23095 8.58888 numMergedOcc 0
33 mol 85 unq 0 iso 0 dist 6.05495 7.2898 5.05893 10.803 8.04853 3.65186 numMergedOcc 0
34 mol 85 unq 1 iso 0 dist 6.05495 7.2898 5.05893 7.59464 6.46549 5.41777 numMergedOcc 0
35 mol 85 unq 2 iso 0 dist 6.05495 4.13305 5.71866 10.803 8.04853 7.00044 numMergedOcc 0
36 mol 85 unq 3 iso 0 dist 6.05495 4.13305 5.71866 7.59464 6.46549 5.85247 numMergedOcc 0
37 mol 128 unq 0 iso 0 dist 6.98158 7.201 9.59437 10.624 7.4442 8.54267 numMergedOcc 0
38 mol 134 unq 0 iso 0 dist 6.93279 5.58312 7.83568 8.4466 8.31198 4.80505 numMergedOcc 0
39 mol 135 unq 0 iso 0 dist 9.15377 9.89298 7.28318 5.16099 8.72359 12.1562 numMergedOcc 0
40 mol 135 unq 1 iso 0 dist 9.15377 9.89298 7.28318 12.1938 7.02963 5.83178 numMergedOcc 0
41 mol 141 unq 0 iso 0 dist 4.25566 10.9801 7.42144 9.08526 4.92382 5.83839 numMergedOcc 0
42 mol 141 unq 1 iso 0 dist 4.25566 10.0279 6.27658 9.08526 4.92382 3.7404 numMergedOcc 0
43 mol 141 unq 2 iso 0 dist 6.63171 6.88786 7.42144 8.96466 4.92382 5.83839 numMergedOcc 0
44 mol 141 unq 3 iso 0 dist 6.63171 6.8633 6.27658 8.96466 4.92382 3.7404 numMergedOcc 0
45 mol 141 unq 4 iso 0 dist 7.67273 9.63622 7.42144 11.4814 4.92382 5.83839 numMergedOcc 0
46 mol 141 unq 5 iso 0 dist 7.67273 10.8428 6.27658 11.4814 4.92382 3.7404 numMergedOcc 0
47 mol 141 unq 6 iso 0 dist 7.31037 6.17069 9.27009 8.16657 8.40695 3.37046 numMergedOcc 0
48 mol 141 unq 7 iso 0 dist 7.31037 6.17069 9.27009 11.0792 9.35867 8.30017 numMergedOcc 0
49 mol 146 unq 0 iso 0 dist 6.50043 5.93846 9.23136 6.19717 6.73137 11.2635 numMergedOcc 0
50 mol 175 unq 0 iso 0 dist 9.19117 4.01736 8.81244 6.54263 4.51777 5.42718 numMergedOcc 0
51 mol 175 unq 1 iso 0 dist 6.26365 4.45276 8.81244 3.63393 4.51777 5.42718 numMergedOcc 0
52 mol 214 unq 0 iso 0 dist 7.69296 6.2381 5.31416 3.92649 5.05626 3.14057 numMergedOcc 0
53 mol 214 unq 1 iso 0 dist 7.69296 6.2381 5.31416 11.4548 8.41013 8.88633 numMergedOcc 0
54 mol 214 unq 2 iso 0 dist 7.69296 9.8806 5.44533 3.92649 5.05626 7.87816 numMergedOcc 0
55 mol 214 unq 3 iso 0 dist 7.69296 9.8806 5.44533 11.4548 8.41013 3.64285 numMergedOcc 0
56 mol 232 unq 0 iso 0 dist 7.17337 14.5281 9.9183 12.899 9.78273 3.43286 numMergedOcc 0
57 mol 273 unq 0 iso 0 dist 8.68913 8.0478 7.85836 9.83412 9.81919 7.37764 numMergedOcc 0
58 mol 273 unq 1 iso 0 dist 8.68913 10.9311 6.35532 9.83412 9.81919 7.04946 numMergedOcc 0
59 mol 292 unq 0 iso 0 dist 5.7131 6.87619 8.6233 11.1017 9.373 11.0273 numMergedOcc 0
