0 mol 14 unq 0 iso 0 dist 7.94714 9.29051 5.88724 11.2303 9.04767 14.0464 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 5.36895 6.12093 4.5916 5.07641 7.99312 10.3938 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 5.36895 6.12093 4.5916 8.54745 8.2183 11.3512 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.50504 8.73672 6.90286 7.62418 6.65721 12.9266 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 5.50504 8.73672 6.90286 6.53977 6.72123 12.7413 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.29446 9.45731 10.8266 11.2307 7.9245 17.4455 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 5.06555 8.30446 7.85036 7.75534 8.75408 15.0363 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 5.06555 8.30446 7.85036 5.61914 6.44653 13.069 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 4.93681 8.69742 6.69124 12.8283 9.2313 14.7891 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 4.93681 8.69742 6.69124 10.1677 7.73169 13.9672 numMergedOcc 0
10 mol 142 unq 2 iso 0 dist 4.93681 8.69742 6.69124 10.0866 8.96657 13.7092 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.04723 6.10606 6.39077 14.4072 6.69288 12.5736 numMergedOcc 0
12 mol 178 unq 1 iso 0 dist 8.04723 6.10606 6.39077 13.0519 6.43573 12.52 numMergedOcc 0
13 mol 178 unq 2 iso 0 dist 8.04723 6.10606 6.39077 10.5681 7.17202 7.12045 numMergedOcc 0
14 mol 178 unq 3 iso 0 dist 8.04723 6.10606 6.39077 9.1499 8.81551 8.94945 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 8.82778 6.03201 4.86449 11.4665 6.16342 5.45139 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 6.90245 8.08856 12.1473 5.3674 7.4631 12.2913 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 7.40475 9.44259 5.41499 7.63032 7.69895 12.1448 numMergedOcc 0
18 mol 248 unq 1 iso 0 dist 7.40475 9.44259 5.41499 6.42334 7.21521 9.12664 numMergedOcc 0
19 mol 248 unq 2 iso 0 dist 7.40475 9.44259 5.41499 6.86606 8.2965 6.51383 numMergedOcc 0
