0 mol 33 unq 0 iso 0 dist 9.74892 7.524 5.66319 10.0831 8.00177 6.24385 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 4.82342 4.28643 7.57586 4.54108 7.57959 7.40179 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 4.82342 4.28643 7.57586 6.98192 7.05737 8.4072 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.47132 5.87975 6.46655 3.97129 8.64015 9.70283 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 9.13413 9.5263 9.43616 5.56098 6.47042 5.51584 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 8.5778 15.9627 7.97208 7.63514 5.53031 11.5403 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 9.03233 10.1235 8.11202 11.2617 9.91353 8.32866 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 5.47189 3.91816 7.45401 9.40342 7.20574 8.19136 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 9.65951 6.79211 7.7292 13.1567 6.85441 12.0796 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 9.14829 12.0168 7.7292 13.1156 6.85441 12.0796 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.33638 4.51173 9.40003 13.6007 6.38157 12.2978 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 9.33638 16.1753 8.68385 13.6007 6.38157 11.7781 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 9.05754 13.2001 8.9077 11.3947 5.45036 5.41948 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 9.05754 13.2001 8.9077 5.70392 9.97586 15.1445 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 6.94983 12.1757 7.47238 10.971 7.83711 6.4535 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 9.75753 12.5292 8.53729 14.9103 7.77998 4.60689 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 9.75753 8.23358 8.07341 14.9103 7.77998 9.18036 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 6.66602 5.17977 6.80096 7.02897 6.42588 5.04055 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.38062 5.36313 7.45019 5.01803 9.74402 7.10281 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.38062 5.36313 7.45019 5.01803 9.74402 7.10281 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 6.38062 5.36313 7.45019 5.01803 9.74402 7.10281 numMergedOcc 0
