0 mol 2 unq 0 iso 0 dist 5.42021 9.02628 5.24604 9.78005 6.93149 9.7009 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.42021 9.02628 5.24604 6.89072 4.00237 3.51035 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.74131 6.96066 12.7438 9.853 7.37828 12.7657 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.59503 4.98783 13.8441 7.29864 13.947 7.64986 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.59503 4.98783 13.8441 7.7399 14.5986 4.5216 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 9.61119 4.98783 14.4048 7.29864 11.6652 7.64986 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 9.61119 4.98783 14.4048 7.7399 17.052 4.5216 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 9.64281 9.15172 13.0381 7.08403 5.96967 12.174 numMergedOcc 0
8 mol 163 unq 0 iso 0 dist 7.5447 6.96837 7.1643 9.37245 15.4278 10.2516 numMergedOcc 0
9 mol 163 unq 1 iso 0 dist 9.04757 6.96837 9.30415 9.37245 13.5948 10.2516 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 9.52252 7.55408 12.984 8.07469 4.22191 9.67128 numMergedOcc 0
11 mol 185 unq 1 iso 0 dist 9.56016 7.55408 8.59489 8.07469 5.80135 9.67128 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.80584 9.9224 14.5078 5.05414 9.70184 11.3109 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 9.80584 9.9224 14.5078 7.16964 13.6636 8.942 numMergedOcc 0
14 mol 192 unq 2 iso 0 dist 7.95713 9.9224 10.161 5.05414 8.12818 11.3109 numMergedOcc 0
15 mol 192 unq 3 iso 0 dist 7.95713 9.9224 10.161 7.16964 10.7274 8.942 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 9.06304 7.44436 9.31629 7.40498 8.15592 6.44449 numMergedOcc 0
17 mol 244 unq 0 iso 0 dist 5.06669 8.19381 8.71894 5.16859 3.62882 5.2958 numMergedOcc 0
18 mol 244 unq 1 iso 0 dist 5.06669 8.19381 8.71894 4.79207 7.8506 7.02866 numMergedOcc 0
19 mol 244 unq 2 iso 0 dist 5.06669 8.93421 7.94286 5.16859 3.62882 11.2661 numMergedOcc 0
20 mol 244 unq 3 iso 0 dist 5.06669 8.93421 7.94286 4.79207 7.8506 13.4101 numMergedOcc 0
21 mol 244 unq 4 iso 0 dist 5.06669 7.35657 5.36127 5.16859 3.62882 7.64875 numMergedOcc 0
22 mol 244 unq 5 iso 0 dist 5.06669 7.35657 5.36127 4.79207 7.8506 11.5997 numMergedOcc 0
23 mol 244 unq 6 iso 0 dist 5.06669 6.19605 6.81518 5.16859 3.62882 9.20762 numMergedOcc 0
24 mol 244 unq 7 iso 0 dist 5.06669 6.19605 6.81518 4.79207 7.8506 9.06024 numMergedOcc 0
25 mol 244 unq 8 iso 0 dist 5.65248 8.19381 8.52699 5.16859 5.2503 5.2958 numMergedOcc 0
26 mol 244 unq 9 iso 0 dist 5.65248 8.19381 8.52699 4.79207 3.66626 7.02866 numMergedOcc 0
27 mol 244 unq 10 iso 0 dist 5.65248 8.93421 12.4452 5.16859 5.2503 11.2661 numMergedOcc 0
28 mol 244 unq 11 iso 0 dist 5.65248 8.93421 12.4452 4.79207 3.66626 13.4101 numMergedOcc 0
29 mol 244 unq 12 iso 0 dist 5.65248 7.35657 11.2736 5.16859 5.2503 7.64875 numMergedOcc 0
30 mol 244 unq 13 iso 0 dist 5.65248 7.35657 11.2736 4.79207 3.66626 11.5997 numMergedOcc 0
31 mol 244 unq 14 iso 0 dist 5.65248 6.19605 7.59011 5.16859 5.2503 9.20762 numMergedOcc 0
32 mol 244 unq 15 iso 0 dist 5.65248 6.19605 7.59011 4.79207 3.66626 9.06024 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 5.30455 9.03983 9.69102 6.69951 9.58753 5.5217 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 6.8184 9.03983 4.76806 6.69951 6.78897 5.5217 numMergedOcc 0
35 mol 286 unq 0 iso 0 dist 5.03123 9.02971 5.37156 8.87916 9.30848 7.36907 numMergedOcc 0
36 mol 286 unq 1 iso 0 dist 5.03123 9.02971 5.37156 8.27359 3.90927 6.33854 numMergedOcc 0
37 mol 286 unq 2 iso 0 dist 5.03123 9.02971 5.37156 8.14957 3.85003 6.85148 numMergedOcc 0
38 mol 294 unq 0 iso 0 dist 8.89372 6.33332 5.39342 7.48987 11.5334 7.0236 numMergedOcc 0
39 mol 294 unq 1 iso 0 dist 8.89372 6.33332 5.39342 8.35637 5.98695 3.65046 numMergedOcc 0
