0 mol 10 unq 0 iso 0 dist 6.74091 7.75994 9.96463 9.70065 9.07663 13.8267 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 6.30807 11.2046 7.2159 6.67111 5.5814 5.39896 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 6.30807 8.40606 8.93093 6.67111 5.5814 8.16648 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 9.49676 10.8777 9.68539 6.12182 5.73067 5.64389 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.16551 8.1394 7.85573 5.68567 7.78905 6.07691 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.00513 8.50057 9.67403 6.63565 8.46556 11.5608 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 8.64665 4.57882 9.67403 9.0032 8.46556 11.5608 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 8.54119 10.2511 7.89201 7.97717 9.87719 4.49178 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 5.16558 5.23343 6.23298 6.27668 9.46247 10.8254 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.62621 16.1045 9.83906 14.5145 8.86252 4.70362 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 6.79564 10.1416 9.81273 6.2092 4.99966 10.6649 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 6.79564 11.405 6.67575 6.2092 4.99966 6.35372 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 5.36955 4.65265 5.43052 4.37283 8.181 9.01856 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.86691 5.48547 6.85651 4.32516 9.3894 8.00493 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.7232 7.75644 6.23615 8.76089 9.50322 14.5344 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 5.7232 7.75644 6.23615 6.80087 5.82404 7.96098 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.6011 12.1847 9.86348 7.03438 7.80299 5.85613 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 6.83539 8.16509 7.0795 4.41663 9.86371 9.65126 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 6.22747 8.16509 9.76251 4.41663 9.13552 9.65126 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 9.61454 4.99819 6.44932 9.77128 7.08539 5.47633 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 8.62592 12.3393 9.4886 6.60345 5.73834 8.31011 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.93002 4.98212 5.98006 5.56656 8.06771 5.71237 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 9.83854 12.5955 6.98812 15.3375 7.04833 5.56416 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 8.53542 7.27711 9.71653 4.51764 7.74162 6.03718 numMergedOcc 0
