0 mol 18 unq 0 iso 0 dist 6.72533 8.95294 9.13179 14.2239 16.2992 8.80193 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.29216 7.19022 9.13179 9.66486 16.2992 8.80193 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.89682 6.76514 8.39998 5.31805 8.91744 4.62858 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.10175 8.41365 10.352 5.01159 5.7405 6.30987 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 9.69751 9.76145 5.42703 4.45609 10.9012 9.48582 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 4.85152 7.36397 6.12826 4.665 7.44343 6.72712 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 4.85152 6.58062 5.02124 5.47738 7.2131 7.1539 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 4.85152 6.58062 5.02124 4.665 7.44343 5.39745 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.592 8.90311 14.8365 14.3305 19.5327 6.51395 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.4922 8.28362 6.72936 6.3353 9.56256 6.75145 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.4922 5.60137 5.46508 6.3353 9.56256 8.1856 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.67598 9.40225 10.3893 5.02458 9.6281 5.81122 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 8.98636 9.40225 13.7819 5.02458 12.1713 5.81122 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 8.79185 9.40225 7.02779 5.02458 6.22667 5.81122 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 9.41152 4.94012 6.75279 6.29145 11.6206 5.81122 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.62543 7.88787 9.47543 7.23046 13.3625 5.95304 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 8.03259 9.30874 9.80135 6.56225 10.0499 9.06217 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 8.03259 5.54873 4.97806 6.56225 10.0499 7.13252 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 5.19654 8.52642 10.9221 9.7127 13.4513 7.60625 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.92947 6.04427 12.7034 11.3148 16.4187 9.22384 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 9.92947 6.04427 12.7034 12.3328 18.1205 8.08737 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 7.46044 6.04427 7.89905 11.3148 14.7105 9.22384 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 7.46044 6.04427 7.89905 12.3328 13.8414 8.08737 numMergedOcc 0
23 mol 224 unq 4 iso 0 dist 8.19011 6.33797 9.39531 6.94242 14.6978 9.22384 numMergedOcc 0
24 mol 224 unq 5 iso 0 dist 8.19011 6.33797 9.39531 5.76647 13.6936 8.08737 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 4.46314 8.94854 10.5464 13.3182 16.0042 7.10413 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.78008 9.10967 5.28695 5.41296 5.4347 7.02079 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 8.78008 9.10967 5.28695 11.9194 11.1516 5.88802 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 8.38727 8.84139 5.36282 4.32336 8.02757 7.7574 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 6.6731 9.418 5.84058 4.34105 8.02757 8.92185 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 6.6731 9.26725 5.36282 4.34105 8.02757 7.7574 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 9.83696 8.10823 5.84058 11.2938 8.02757 8.92185 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.36655 8.50767 11.5371 14.2536 17.9117 9.24367 numMergedOcc 0
33 mol 279 unq 1 iso 0 dist 8.76889 6.10834 7.28266 4.99186 8.16582 9.24367 numMergedOcc 0
34 mol 279 unq 2 iso 0 dist 7.04397 8.24233 7.28266 8.17282 8.16582 9.24367 numMergedOcc 0
35 mol 279 unq 3 iso 0 dist 6.37469 6.10834 5.191 4.99186 10.4934 9.24367 numMergedOcc 0
