0 mol 7 unq 0 iso 0 dist 8.41585 6.81066 10.6 6.88805 5.99459 12.4163 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.86116 6.07553 5.86882 5.11636 7.95042 8.21811 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.86116 6.48457 9.9259 5.11636 7.95042 5.13078 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.54419 8.80127 7.6222 4.82629 6.6219 12.7968 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.54419 8.80127 7.6222 10.1698 5.68215 9.54357 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 7.36323 8.80127 11.7026 6.28159 8.87744 11.9118 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 7.36323 8.80127 11.7026 5.50396 7.27472 8.70016 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 9.07906 8.42544 5.07458 6.66407 12.7689 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 7.2846 7.742 4.91588 6.42339 9.33906 12.1023 numMergedOcc 0
9 mol 60 unq 0 iso 0 dist 6.43294 8.43677 8.04342 8.62476 7.57295 13.02 numMergedOcc 0
10 mol 60 unq 1 iso 0 dist 6.43294 7.77255 4.32336 8.62476 7.57295 11.6363 numMergedOcc 0
11 mol 60 unq 2 iso 0 dist 8.7531 8.43677 6.10251 8.62476 8.4312 13.02 numMergedOcc 0
12 mol 60 unq 3 iso 0 dist 8.7531 7.77255 6.67875 8.62476 8.4312 11.6363 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.96708 4.69674 11.8198 5.69391 9.55118 10.2763 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.96708 4.69674 11.8198 13.4212 9.10345 17.4015 numMergedOcc 0
15 mol 88 unq 0 iso 0 dist 9.36773 9.54952 11.9839 12.1193 7.80898 16.828 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 7.27724 8.69749 14.2706 3.94537 9.3948 9.44847 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 7.27724 8.69749 14.2706 6.12605 9.74607 13.6113 numMergedOcc 0
18 mol 95 unq 2 iso 0 dist 7.27724 5.96576 11.0946 3.94537 9.3948 6.05839 numMergedOcc 0
19 mol 95 unq 3 iso 0 dist 7.27724 5.96576 11.0946 6.12605 9.74607 11.7679 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 9.87172 8.20715 4.55137 6.20019 6.99446 4.22806 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 6.18601 6.16081 7.36889 4.39676 8.95212 4.22806 numMergedOcc 0
22 mol 127 unq 0 iso 0 dist 9.30299 8.82676 12.4721 12.8087 6.08673 15.8154 numMergedOcc 0
23 mol 133 unq 0 iso 0 dist 6.80239 8.75049 5.58281 13.7612 8.77023 5.47256 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 6.43582 6.89245 4.47054 4.91785 8.97626 10.8763 numMergedOcc 0
25 mol 178 unq 0 iso 0 dist 6.69288 8.4173 4.43082 8.44333 9.11204 13.2883 numMergedOcc 0
26 mol 178 unq 1 iso 0 dist 7.17202 6.55543 4.43082 14.9499 9.11204 13.2883 numMergedOcc 0
27 mol 182 unq 0 iso 0 dist 9.31746 9.07173 9.87473 8.82964 9.56028 12.061 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.54065 9.83935 4.527 11.0961 6.61112 7.54492 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 7.21333 8.36659 10.367 6.84862 5.56538 12.4709 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 7.21333 8.36659 10.367 9.53117 7.48954 13.3448 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 7.21333 9.18913 12.4303 6.84862 5.56538 15.2402 numMergedOcc 0
32 mol 222 unq 3 iso 0 dist 7.21333 9.18913 12.4303 9.53117 7.48954 17.9465 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 7.09863 6.40086 6.16261 5.83175 5.23634 8.60053 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 7.19638 6.38733 3.6688 7.40852 7.15764 9.03266 numMergedOcc 0
35 mol 252 unq 1 iso 0 dist 7.19638 9.64349 6.57801 7.40852 7.15764 12.7486 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 8.48753 8.97468 9.96676 5.12237 6.44147 11.9807 numMergedOcc 0
