0 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 14.9388 12.8257 9.80897 14.3799 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 12.9691 8.70636 8.37225 14.0874 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 7.63663 14.2824 9.65964 14.4842 7.92394 6.65811 9.67549 5.43139 9.74802 6.22308 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 7.63663 14.2824 9.65964 14.7467 9.93423 5.47516 9.67549 5.43139 9.74802 7.0495 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 7.63663 14.2824 9.65964 5.93792 9.34122 11.0952 9.67549 5.43139 9.74802 10.2795 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 13.3206 13.7926 8.4143 13.3803 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.10011 8.3449 5.93252 10.0721 5.64598 9.77992 9.63452 4.60412 9.41049 6.96647 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 13.2901 9.59988 7.23812 12.6465 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 21.8495 15.3279 9.67557 19.1239 numMergedOcc 0
9 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 20.3628 12.9061 9.22737 16.7847 numMergedOcc 0
10 mol 100 unq 1 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 20.346 12.9061 9.22737 16.7847 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.266 9.66954 6.09023 17.3785 10.9791 7.9258 12.6726 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 11.6637 7.64585 10.2377 17.3785 10.9791 7.9258 13.8918 numMergedOcc 0
13 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 4.86181 7.95911 7.19056 12.3462 8.42394 9.62543 13.3913 numMergedOcc 0
14 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 7.37293 7.95911 7.19056 11.6012 8.42394 9.62543 13.3913 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 11.7342 10.4837 6.77368 13.2111 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 7.99609 9.69122 7.73634 11.3246 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 9.9234 6.87664 7.98696 19.2092 12.8561 7.49783 9.89345 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.07564 11.8217 8.95269 4.92261 6.87664 7.98696 12.1661 12.8561 7.49783 9.89345 numMergedOcc 0
19 mol 261 unq 0 iso 0 dist 6.82526 10.3274 8.45658 5.74092 7.47164 5.22253 12.544 6.75336 7.00833 10.1364 numMergedOcc 0
