0 mol 5 unq 0 iso 0 dist 8.30937 11.9753 9.8143 10.0561 8.81964 6.89121 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.66828 13.2507 7.84931 5.81034 8.48456 15.9732 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 5.66828 10.0777 6.64392 5.81034 8.48456 9.95825 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 7.28798 5.33133 7.83092 5.49213 6.82081 9.47356 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 9.46633 4.83893 7.6314 13.6455 8.03504 11.1268 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 9.46633 4.83893 7.6314 11.2058 7.87739 6.48194 numMergedOcc 0
6 mol 83 unq 0 iso 0 dist 9.55654 6.27475 7.6104 12.3414 7.9309 14.0631 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 7.55765 6.43058 5.57391 5.91888 4.82346 5.77364 numMergedOcc 0
8 mol 99 unq 1 iso 0 dist 7.55765 6.43058 5.57391 10.0064 8.07233 10.4509 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 6.5332 6.40794 8.38998 6.0128 9.00302 10.9086 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.32304 5.1971 8.98949 6.8279 6.45169 5.7687 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 8.99568 14.128 8.37542 10.6342 8.99714 6.3345 numMergedOcc 0
12 mol 154 unq 1 iso 0 dist 8.99568 6.8798 8.10747 10.6342 8.99714 4.20431 numMergedOcc 0
13 mol 172 unq 0 iso 0 dist 9.91479 7.66506 8.26094 13.0825 7.77643 10.209 numMergedOcc 0
14 mol 172 unq 1 iso 0 dist 9.91479 7.66506 8.26094 12.1824 4.90175 11.546 numMergedOcc 0
15 mol 211 unq 0 iso 0 dist 8.96942 12.4626 8.14513 14.9488 9.24739 10.0612 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 8.48834 10.2341 8.31372 7.16819 9.1732 11.6841 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.621 6.48842 9.99717 13.2093 7.0412 10.9092 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.87704 15.2048 6.55222 4.828 7.80073 14.1404 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 9.11375 5.85199 6.55222 16.0386 7.80073 14.1404 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 5.37738 7.39855 7.35191 10.6569 6.40125 8.05625 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 5.37738 7.39855 7.35191 4.09948 7.25282 5.99494 numMergedOcc 0
