0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 5.92202 14.3332 8.26708 4.50502 10.8992 7.27254 6.27888 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.2041 10.5461 5.72491 12.8323 9.87885 8.15894 7.12508 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.10621 5.72491 5.44992 12.2041 12.2333 7.88043 7.12508 6.1206 8.15894 12.8323 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.34347 5.69955 10.6756 9.78225 17.7357 8.6385 8.25132 13.6027 6.73167 7.73394 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.34347 5.69955 10.6756 9.78225 17.7357 8.6385 4.94205 12.8365 7.40948 7.42064 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 8.13395 10.5523 9.93832 5.07458 6.66407 7.24352 10.8828 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 8.13395 6.20293 8.60739 10.8828 10.0168 7.24352 5.07458 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 6.20293 8.60739 9.06158 8.13395 8.80331 9.93832 5.07458 10.0168 7.24352 10.8828 numMergedOcc 0
8 mol 43 unq 3 iso 0 dist 8.93915 8.60739 11.3891 8.13395 14.7803 9.93832 5.07458 10.9975 7.24352 10.8828 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 5.0812 12.603 9.92283 10.5563 13.5845 5.43933 12.6108 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 5.0812 12.603 9.92283 6.95317 8.47988 4.99604 10.9279 numMergedOcc 0
11 mol 112 unq 2 iso 0 dist 7.71338 6.43433 8.56707 5.0812 12.603 9.92283 13.5094 18.1948 9.97483 13.764 numMergedOcc 0
12 mol 112 unq 3 iso 0 dist 7.71338 6.43433 8.56707 5.0812 12.603 9.92283 6.75738 13.1243 7.44041 5.43385 numMergedOcc 0
13 mol 112 unq 4 iso 0 dist 9.60462 9.92283 17.3924 5.0812 13.9874 6.43433 12.6108 19.476 5.43933 10.5563 numMergedOcc 0
14 mol 112 unq 5 iso 0 dist 9.60462 9.92283 17.3924 5.0812 13.9874 6.43433 10.9279 19.9429 4.99604 6.95317 numMergedOcc 0
15 mol 112 unq 6 iso 0 dist 9.60462 9.92283 17.3924 5.0812 13.9874 6.43433 13.764 19.2666 9.97483 13.5094 numMergedOcc 0
16 mol 112 unq 7 iso 0 dist 9.60462 9.92283 17.3924 5.0812 13.9874 6.43433 5.43385 10.2348 7.44041 6.75738 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 7.58238 14.2958 9.15431 8.57203 14.4508 6.78801 4.57579 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 7.12972 6.92648 9.32969 6.63273 6.85062 9.29384 8.57203 14.4508 6.78801 12.6005 numMergedOcc 0
19 mol 131 unq 2 iso 0 dist 6.85062 9.29384 9.32969 13.2572 14.2958 9.15431 12.6005 14.4508 6.78801 4.57579 numMergedOcc 0
20 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 6.63273 7.12972 6.92648 12.6005 14.4508 6.78801 8.57203 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 5.62899 11.7385 7.36779 16.4114 14.3561 8.48313 14.2036 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 5.62899 11.7385 7.36779 12.8086 11.0808 6.99345 10.092 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 8.94367 8.20836 9.4027 5.62899 11.7385 7.36779 7.41373 9.33094 5.11043 4.46337 numMergedOcc 0
24 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 5.62899 11.3835 7.36779 16.4114 9.71716 8.48313 14.2036 numMergedOcc 0
25 mol 134 unq 4 iso 0 dist 9.86662 8.20836 5.12325 5.62899 11.3835 7.36779 12.8086 9.1998 6.99345 10.092 numMergedOcc 0
26 mol 134 unq 5 iso 0 dist 9.86662 8.20836 5.12325 5.62899 11.3835 7.36779 7.41373 8.69531 5.11043 4.46337 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 7.65448 10.399 9.77552 9.84297 10.4285 6.92726 12.4535 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 7.65448 6.70283 8.28642 12.4535 14.437 6.92726 9.84297 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 6.70283 8.28642 9.35627 7.65448 8.56324 9.77552 9.84297 14.437 6.92726 12.4535 numMergedOcc 0
30 mol 152 unq 3 iso 0 dist 8.67331 8.28642 11.2078 7.65448 14.1618 9.77552 9.84297 15.2732 6.92726 12.4535 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 8.04815 15.6447 9.56197 12.6058 17.9507 8.57801 6.89047 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 9.09754 8.64409 9.97575 13.684 16.9992 7.24795 12.6058 17.9507 8.57801 3.90244 numMergedOcc 0
33 mol 186 unq 2 iso 0 dist 9.09754 8.64409 9.97575 7.18269 14.1487 7.60202 12.6058 17.9507 8.57801 7.21555 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 10.5806 12.6531 9.2581 8.84507 6.74196 7.97027 9.01393 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 10.5806 12.6531 9.2581 8.67203 11.4707 6.81955 6.25425 numMergedOcc 0
36 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 10.5806 12.6531 9.2581 6.02502 8.36842 4.9876 5.64455 numMergedOcc 0
37 mol 222 unq 3 iso 0 dist 6.00706 7.862 6.42798 6.9154 11.8674 9.62632 8.84507 6.74196 7.97027 13.3586 numMergedOcc 0
38 mol 222 unq 4 iso 0 dist 6.00706 7.862 6.42798 6.9154 11.8674 9.62632 8.67203 11.4707 6.81955 5.16212 numMergedOcc 0
39 mol 222 unq 5 iso 0 dist 6.00706 7.862 6.42798 6.9154 11.8674 9.62632 6.02502 8.36842 4.9876 5.9478 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.22356 8.65997 5.4694 4.1511 9.91384 5.28771 4.69247 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 5.22356 7.22101 8.38865 4.69247 9.91384 5.28771 4.1511 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 7.09863 8.38865 12.9587 5.22356 10.8157 5.4694 4.1511 10.3016 5.28771 4.69247 numMergedOcc 0
43 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 6.94172 14.4239 8.08082 11.0437 16.8558 6.42694 5.66641 numMergedOcc 0
44 mol 229 unq 1 iso 0 dist 8.22528 8.92743 11.6847 6.94172 14.4239 8.08082 11.9989 16.8118 7.63917 7.4175 numMergedOcc 0
45 mol 229 unq 2 iso 0 dist 8.22528 8.92743 11.6847 7.0298 11.7165 5.77318 11.0437 16.8558 6.42694 7.46815 numMergedOcc 0
46 mol 229 unq 3 iso 0 dist 8.22528 8.92743 11.6847 7.0298 11.7165 5.77318 11.9989 16.8118 7.63917 5.37687 numMergedOcc 0
47 mol 229 unq 4 iso 0 dist 8.22528 8.92743 11.6847 15.7694 19.5385 8.19603 11.0437 16.8558 6.42694 6.62766 numMergedOcc 0
48 mol 229 unq 5 iso 0 dist 8.22528 8.92743 11.6847 15.7694 19.5385 8.19603 11.9989 16.8118 7.63917 6.03803 numMergedOcc 0
49 mol 229 unq 6 iso 0 dist 7.03423 8.92743 9.62106 6.94172 12.3823 8.08082 11.0437 14.0816 6.42694 5.66641 numMergedOcc 0
50 mol 229 unq 7 iso 0 dist 7.03423 8.92743 9.62106 6.94172 12.3823 8.08082 11.9989 16.0361 7.63917 7.4175 numMergedOcc 0
51 mol 229 unq 8 iso 0 dist 7.03423 8.92743 9.62106 7.0298 11.4362 5.77318 11.0437 14.0816 6.42694 7.46815 numMergedOcc 0
52 mol 229 unq 9 iso 0 dist 7.03423 8.92743 9.62106 7.0298 11.4362 5.77318 11.9989 16.0361 7.63917 5.37687 numMergedOcc 0
53 mol 229 unq 10 iso 0 dist 7.03423 8.92743 9.62106 15.7694 17.78 8.19603 11.0437 14.0816 6.42694 6.62766 numMergedOcc 0
54 mol 229 unq 11 iso 0 dist 7.03423 8.92743 9.62106 15.7694 17.78 8.19603 11.9989 16.0361 7.63917 6.03803 numMergedOcc 0
55 mol 229 unq 12 iso 0 dist 9.87838 5.77318 7.7339 7.0298 11.6115 8.92743 7.46815 14.0538 6.42694 11.0437 numMergedOcc 0
56 mol 229 unq 13 iso 0 dist 9.87838 5.77318 7.7339 7.0298 11.6115 8.92743 5.37687 12.9844 7.63917 11.9989 numMergedOcc 0
57 mol 229 unq 14 iso 0 dist 9.87838 5.77318 7.7339 5.5729 14.3118 8.08082 7.46815 14.0538 6.42694 5.66641 numMergedOcc 0
58 mol 229 unq 15 iso 0 dist 9.87838 5.77318 7.7339 5.5729 14.3118 8.08082 5.37687 12.9844 7.63917 7.4175 numMergedOcc 0
59 mol 229 unq 16 iso 0 dist 9.87838 5.77318 7.7339 9.96077 13.8823 8.19603 7.46815 14.0538 6.42694 6.62766 numMergedOcc 0
60 mol 229 unq 17 iso 0 dist 9.87838 5.77318 7.7339 9.96077 13.8823 8.19603 5.37687 12.9844 7.63917 6.03803 numMergedOcc 0
61 mol 252 unq 0 iso 0 dist 8.1148 8.47784 5.89666 13.2361 14.2744 8.66469 6.62402 10.6424 8.19529 8.71281 numMergedOcc 0
62 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 13.2361 14.2744 8.66469 10.2463 11.0129 6.45396 4.54582 numMergedOcc 0
63 mol 252 unq 2 iso 0 dist 8.1148 6.53679 11.056 6.0987 8.33025 7.50201 5.6214 13.1298 5.9974 7.40852 numMergedOcc 0
64 mol 252 unq 3 iso 0 dist 8.1715 8.47784 10.672 13.2361 17.8419 8.66469 6.62402 14.0636 8.19529 8.71281 numMergedOcc 0
65 mol 252 unq 4 iso 0 dist 8.1715 8.47784 10.672 13.2361 17.8419 8.66469 10.2463 15.7955 6.45396 4.54582 numMergedOcc 0
66 mol 252 unq 5 iso 0 dist 8.1715 6.53679 5.23748 6.0987 9.2288 7.50201 5.6214 10.5687 5.9974 7.40852 numMergedOcc 0
67 mol 252 unq 6 iso 0 dist 8.33025 7.50201 11.056 6.0987 8.1148 6.53679 7.40852 13.1298 5.9974 5.6214 numMergedOcc 0
68 mol 252 unq 7 iso 0 dist 9.2288 7.50201 5.23748 6.0987 8.1715 6.53679 7.40852 10.5687 5.9974 5.6214 numMergedOcc 0
69 mol 252 unq 8 iso 0 dist 7.19638 7.50201 7.63376 6.0987 10.5136 6.53679 7.40852 7.15764 5.9974 5.6214 numMergedOcc 0
70 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 4.92077 13.4025 6.04162 13.2035 19.5824 7.14086 11.4167 numMergedOcc 0
