0 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 7.03372 9.92243 7.23535 4.77954 7.99919 11.0249 11.6392 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 9.02471 12.6657 14.0654 5.41726 6.6263 6.75943 12.649 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 9.02471 14.0654 12.6657 5.41726 6.75943 6.6263 12.649 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 9.4278 7.93183 10.7675 5.61579 5.38524 8.69057 10.8756 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 9.4278 7.93183 10.5901 5.61579 5.38524 13.1897 10.8756 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 9.4278 10.7675 7.93183 5.61579 8.69057 5.38524 10.8756 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 7.32874 9.55426 5.90225 9.4278 10.7675 10.5901 5.61579 8.69057 13.1897 10.8756 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.96708 8.8178 10.7394 4.86198 10.7434 5.21565 5.69391 9.55118 13.6019 9.92478 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.96708 8.8178 10.7394 4.86198 10.7434 5.21565 13.4212 9.10345 18.0706 15.6544 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 8.85601 17.4771 10.2467 4.3481 7.06939 12.4681 13.1158 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.64443 9.33898 13.1316 8.85601 10.2467 17.4771 5.31547 9.36001 10.9241 10.9088 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.92856 8.29813 13.2057 3.9764 5.10496 5.92242 11.36 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.92856 8.29813 12.7473 3.9764 5.10496 5.2571 11.36 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 6.48948 5.08437 9.51923 7.92856 13.2057 8.29813 3.9764 5.92242 5.10496 11.36 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.48948 5.08437 9.51923 7.92856 13.2057 8.29813 7.03983 7.02507 9.89095 8.7081 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 6.48948 6.10456 9.42358 7.92856 13.2057 12.7473 3.9764 5.92242 5.2571 11.36 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 6.48948 6.10456 9.42358 7.92856 13.2057 12.7473 7.03983 7.02507 12.7417 8.7081 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 6.10456 5.08437 8.40073 7.92856 12.7473 8.29813 10.4782 7.54889 9.81956 17.395 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 6.10456 5.08437 8.40073 7.92856 12.7473 8.29813 3.9764 5.2571 5.10496 11.36 numMergedOcc 0
19 mol 98 unq 8 iso 0 dist 6.10456 6.48948 9.42358 7.92856 12.7473 13.2057 10.4782 7.54889 10.8223 17.395 numMergedOcc 0
20 mol 98 unq 9 iso 0 dist 6.10456 6.48948 9.42358 7.92856 12.7473 13.2057 3.9764 5.2571 5.92242 11.36 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 9.30299 8.14887 7.30196 5.39356 12.7606 10.2024 12.8087 6.08673 12.1234 17.4196 numMergedOcc 0
22 mol 127 unq 1 iso 0 dist 9.30299 8.14887 7.30196 9.92746 12.6193 5.4328 12.8087 6.08673 12.1234 16.9845 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 9.2313 5.31024 5.32922 8.04118 4.05822 4.7832 4.67662 7.81207 6.14151 5.42679 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 9.2313 5.31024 5.32922 8.04118 4.05822 4.7832 13.5913 7.18002 10.7696 11.1832 numMergedOcc 0
25 mol 142 unq 2 iso 0 dist 5.31024 9.2313 5.32922 8.04118 4.7832 4.05822 4.67662 6.14151 7.81207 5.42679 numMergedOcc 0
26 mol 142 unq 3 iso 0 dist 7.73169 7.26382 5.32922 8.39035 4.05822 4.7832 5.81599 7.81207 6.14151 5.42679 numMergedOcc 0
27 mol 142 unq 4 iso 0 dist 7.73169 7.26382 5.32922 8.39035 4.05822 4.7832 9.99555 7.18002 10.7696 11.1832 numMergedOcc 0
28 mol 142 unq 5 iso 0 dist 7.26382 7.73169 5.32922 8.39035 4.7832 4.05822 5.81599 6.14151 7.81207 5.42679 numMergedOcc 0
29 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 6.79114 4.68615 9.35878 4.94983 6.70693 10.4895 8.60651 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 5.87555 8.87437 5.49936 7.59457 4.73288 4.70284 4.94983 6.70693 10.4895 10.6225 numMergedOcc 0
31 mol 152 unq 2 iso 0 dist 8.56324 6.70283 7.65448 9.00072 12.2243 4.73288 5.39112 6.59889 6.70693 10.6225 numMergedOcc 0
32 mol 152 unq 3 iso 0 dist 8.56324 6.70283 7.65448 9.00072 12.2243 4.73288 4.84714 8.9192 9.27706 12.4493 numMergedOcc 0
33 mol 152 unq 4 iso 0 dist 8.56324 7.16148 10.6875 9.00072 12.2243 4.70284 5.39112 6.59889 10.4895 10.6225 numMergedOcc 0
34 mol 152 unq 5 iso 0 dist 8.56324 7.16148 10.6875 9.00072 12.2243 4.70284 4.84714 8.9192 11.6735 12.4493 numMergedOcc 0
35 mol 152 unq 6 iso 0 dist 6.70283 8.56324 7.65448 9.00072 4.73288 12.2243 5.39112 6.70693 6.59889 10.6225 numMergedOcc 0
36 mol 152 unq 7 iso 0 dist 6.70283 7.16148 5.49936 9.00072 4.73288 4.70284 5.39112 6.70693 10.4895 10.6225 numMergedOcc 0
37 mol 152 unq 8 iso 0 dist 8.67331 8.05741 5.49936 7.55419 4.73288 4.70284 9.67475 6.70693 10.4895 10.6225 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.72821 4.69387 3.70233 6.42973 7.06025 10.0638 9.15383 numMergedOcc 0
39 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.72821 4.69387 7.39705 6.42973 7.06025 13.2692 9.15383 numMergedOcc 0
40 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.72821 4.69387 9.77268 6.42973 7.06025 15.0672 9.15383 numMergedOcc 0
41 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 5.1609 8.89157 6.91863 6.84862 5.56538 14.4477 8.88902 numMergedOcc 0
42 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 5.1609 8.89157 6.91863 9.53117 7.48954 16.3082 9.83916 numMergedOcc 0
43 mol 222 unq 2 iso 0 dist 7.21333 7.7699 5.24516 5.1609 8.89157 8.26703 6.84862 5.56538 10.0233 8.88902 numMergedOcc 0
44 mol 222 unq 3 iso 0 dist 7.21333 7.7699 5.24516 5.1609 8.89157 8.26703 9.53117 7.48954 11.839 9.83916 numMergedOcc 0
45 mol 280 unq 0 iso 0 dist 6.53701 6.0664 5.51836 6.01897 6.87492 3.51781 4.90315 6.02353 6.86234 8.96231 numMergedOcc 0
46 mol 280 unq 1 iso 0 dist 6.0664 6.53701 5.51836 6.01897 3.51781 6.87492 4.90315 6.86234 6.02353 8.96231 numMergedOcc 0
