0 mol 29 unq 0 iso 0 dist 7.50258 5.94216 11.6887 7.34641 5.36278 12.636 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 7.44828 7.03174 5.34698 9.9897 8.74487 13.1148 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.84944 6.65308 6.77798 12.0149 7.21995 13.3023 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 6.49343 7.87739 11.0084 12.2413 9.78739 19.0637 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 6.11833 8.85561 8.22851 4.40288 7.12201 12.0794 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 9.18753 8.21863 4.11931 10.8037 8.6953 10.5532 numMergedOcc 0
6 mol 150 unq 0 iso 0 dist 9.15244 8.16324 4.16002 10.8647 8.65967 10.6047 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.65031 6.83034 6.41178 11.2441 8.51844 13.0277 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 7.30751 6.66396 4.15457 10.1297 9.96586 13.0314 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.30813 9.11753 4.71126 4.6893 7.03107 10.1178 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 8.27913 9.96156 6.2072 9.61687 8.85111 14.6528 numMergedOcc 0
11 mol 182 unq 1 iso 0 dist 8.27913 9.96156 6.2072 11.427 6.38335 9.80892 numMergedOcc 0
12 mol 182 unq 2 iso 0 dist 6.38335 7.76901 8.70351 11.427 8.27913 12.1244 numMergedOcc 0
13 mol 182 unq 3 iso 0 dist 6.38335 7.76901 8.70351 9.71185 8.85111 15.7406 numMergedOcc 0
14 mol 182 unq 4 iso 0 dist 6.38335 9.80892 6.2072 11.427 8.27913 9.96156 numMergedOcc 0
15 mol 182 unq 5 iso 0 dist 6.38335 9.80892 6.2072 9.71185 8.85111 14.6528 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 6.39087 8.01243 9.77953 6.99846 9.86144 13.5871 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 6.39087 9.55264 12.8065 6.99846 9.86144 11.3134 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 8.78924 7.43688 3.74434 10.9243 7.70472 5.50716 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 7.70472 5.50716 3.74434 10.9243 8.78924 7.43688 numMergedOcc 0
20 mol 243 unq 2 iso 0 dist 4.64178 7.43688 4.14613 10.9243 9.16988 5.50716 numMergedOcc 0
21 mol 243 unq 3 iso 0 dist 9.16988 5.50716 4.14613 10.9243 4.64178 7.43688 numMergedOcc 0
22 mol 245 unq 0 iso 0 dist 7.95061 9.99553 12.8603 15.2703 9.5096 21.0004 numMergedOcc 0
