0 mol 78 unq 0 iso 0 dist 8.63732 9.8917 3.93886 6.89185 6.6573 9.15854 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 8.63732 9.8917 3.93886 7.97217 4.41538 5.12682 numMergedOcc 0
2 mol 81 unq 0 iso 0 dist 9.1024 8.61295 8.00722 8.93196 14.5768 10.2544 numMergedOcc 0
3 mol 81 unq 1 iso 0 dist 9.1024 8.41574 15.3678 8.93196 14.5768 4.32473 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 6.68154 9.48297 4.81638 8.89514 6.46605 10.592 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 4.06171 5.57391 4.95662 8.5073 5.81348 6.7474 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.74464 8.98949 11.4305 9.64856 12.906 9.5945 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 8.74464 8.98949 11.4305 6.38977 5.6098 7.47571 numMergedOcc 0
8 mol 131 unq 2 iso 0 dist 8.74464 8.98949 11.4305 9.69757 4.29914 12.885 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 7.5179 7.35339 4.4 9.73922 9.57777 5.74656 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 8.01303 8.68179 13.1232 6.64164 8.66436 7.9092 numMergedOcc 0
11 mol 167 unq 2 iso 0 dist 8.01303 5.32056 9.13316 6.64164 8.66436 6.45463 numMergedOcc 0
12 mol 167 unq 3 iso 0 dist 8.01303 9.52659 4.4 6.64164 8.66436 6.67469 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 5.67616 8.71535 7.01503 4.71403 4.70115 5.28322 numMergedOcc 0
14 mol 213 unq 1 iso 0 dist 5.67616 5.51558 4.36851 4.71403 4.70115 7.76105 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 6.79839 9.9479 15.0261 7.96424 8.20031 17.1899 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 6.79839 9.9479 15.0261 5.40366 4.56064 12.7759 numMergedOcc 0
17 mol 220 unq 2 iso 0 dist 6.79839 9.9479 15.0261 8.93637 8.0303 10.7994 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 6.68688 7.31898 7.86606 6.7283 11.6171 7.80116 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 9.17576 7.31898 4.32028 6.7283 5.90619 7.80116 numMergedOcc 0
20 mol 276 unq 0 iso 0 dist 9.63988 8.63212 4.54046 7.11272 14.3233 11.0537 numMergedOcc 0
21 mol 276 unq 1 iso 0 dist 9.63988 8.63212 4.54046 6.24808 10.8564 9.50779 numMergedOcc 0
