0 mol 12 unq 0 iso 0 dist 9.79847 4.60834 8.18139 4.62913 11.1357 6.6051 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 9.79847 4.60834 8.18139 7.44542 5.03514 8.15864 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 8.28839 3.86843 6.04797 9.1662 10.507 6.49343 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 8.28839 3.86843 6.04797 11.6253 5.32214 9.78739 numMergedOcc 0
4 mol 63 unq 2 iso 0 dist 7.07396 3.86843 8.88058 9.1662 15.191 6.49343 numMergedOcc 0
5 mol 63 unq 3 iso 0 dist 7.07396 3.86843 8.88058 11.6253 11.3685 9.78739 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.42184 6.63464 7.47162 9.65498 4.93697 4.34694 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.58743 4.20398 7.318 11.3357 9.96442 8.61089 numMergedOcc 0
8 mol 79 unq 1 iso 0 dist 7.58743 4.20398 7.318 11.1999 8.12985 8.64686 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 9.32056 6.79748 8.81954 12.2004 9.24705 6.22441 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.81212 4.81561 7.94976 13.241 7.28039 9.65031 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 9.81212 4.81561 7.94976 10.363 5.51498 8.51844 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 8.8637 5.41356 7.75405 9.10569 7.56199 7.36571 numMergedOcc 0
13 mol 192 unq 1 iso 0 dist 8.8637 4.87986 7.49971 9.10569 7.56199 9.17137 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.48766 10.6976 8.84149 13.9542 7.83764 5.61326 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.71835 4.31761 7.3963 9.5942 4.89645 8.52996 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 9.94117 4.24722 8.75172 12.2537 15.0178 8.63249 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 9.94117 4.24722 8.75172 5.6568 7.69003 7.74348 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 7.63381 17.1937 9.993 10.1511 3.28983 8.48545 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 7.59142 15.1753 8.34313 10.2213 4.91802 8.03486 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 9.14467 6.28227 8.43856 12.2789 13.8618 7.14859 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 9.14467 6.28227 8.43856 12.2789 13.8618 7.14859 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 9.14467 6.28227 8.43856 12.2789 13.8618 7.14859 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 5.72473 10.5329 9.63325 11.1589 7.60595 5.83342 numMergedOcc 0
