0 mol 5 unq 0 iso 0 dist 6.84403 4.67908 5.63302 6.46777 7.64769 5.8674 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.84403 4.67908 5.63302 3.82801 8.31759 6.88126 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 5.18743 4.67908 4.55639 6.46777 8.68577 5.8674 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 5.18743 4.67908 4.55639 3.82801 8.13672 6.88126 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.14086 5.75314 8.96154 6.82151 8.53424 11.9912 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 6.76158 11.2165 8.96154 4.3475 8.53424 11.9912 numMergedOcc 0
6 mol 28 unq 2 iso 0 dist 6.31487 5.75314 8.90935 6.82151 7.08766 11.9912 numMergedOcc 0
7 mol 28 unq 3 iso 0 dist 7.423 11.2165 8.90935 4.3475 7.08766 11.9912 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.82511 6.17121 8.32093 3.97203 7.7485 5.29172 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.00481 14.0323 8.46167 9.83939 5.31126 4.62493 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 9.00481 14.0323 8.46167 9.2752 7.16619 6.47997 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 8.31527 10.6085 9.8098 5.79975 7.84207 11.5289 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 8.31527 10.6085 9.8098 12.8646 8.56947 10.6796 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 9.3206 8.52499 9.39809 9.93901 5.10589 6.05322 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.19926 15.9745 9.64977 4.32488 7.25595 13.3603 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.19926 15.9745 9.64977 12.1543 9.94825 11.4647 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 6.6747 4.83816 8.93352 11.2635 4.68722 13.336 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 6.6747 4.83816 8.93352 10.5989 5.18325 11.2435 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 6.28412 14.1072 8.93352 5.18799 4.68722 13.336 numMergedOcc 0
19 mol 194 unq 3 iso 0 dist 6.28412 14.1072 8.93352 4.45047 5.18325 11.2435 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 7.22151 9.53654 9.57433 3.64687 9.54529 12.4019 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 7.36685 11.735 8.53393 7.98379 7.8598 13.7573 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 7.36685 11.735 8.53393 4.58167 8.25286 10.0357 numMergedOcc 0
23 mol 266 unq 2 iso 0 dist 9.20906 11.7937 7.24165 10.0526 7.80711 13.7573 numMergedOcc 0
24 mol 266 unq 3 iso 0 dist 9.20906 11.7937 7.24165 16.8584 9.9965 10.0357 numMergedOcc 0
25 mol 266 unq 4 iso 0 dist 9.03099 11.735 7.24165 7.98379 7.80711 13.7573 numMergedOcc 0
26 mol 266 unq 5 iso 0 dist 9.03099 11.735 7.24165 4.58167 9.9965 10.0357 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 5.06373 7.63537 8.82497 4.16786 5.6964 8.65336 numMergedOcc 0
