0 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 10.5084 14.0204 8.03754 10.615 8.13395 6.20293 13.1056 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 13.2901 9.59988 7.23812 10.1112 5.4148 9.96396 12.8453 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 13.2901 9.59988 7.23812 19.5696 13.3558 8.70481 7.80518 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 6.7939 7.80518 7.23812 11.0108 14.9342 9.96396 12.8453 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 6.7939 7.80518 7.23812 10.9082 13.3558 6.19304 9.59988 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 8.44695 7.80518 7.23812 20.562 14.9342 9.96396 12.8453 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 8.27015 12.6626 8.70481 8.44695 7.80518 7.23812 17.327 13.3558 6.19304 9.59988 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 21.8212 14.2474 9.20448 13.0332 5.64643 8.56639 12.103 numMergedOcc 0
8 mol 75 unq 1 iso 0 dist 8.2147 13.5815 7.79912 21.8212 14.2474 9.20448 18.603 10.4899 8.59017 5.76778 numMergedOcc 0
9 mol 75 unq 2 iso 0 dist 8.2147 13.5815 7.79912 20.4429 13.8905 6.96759 13.0332 5.64643 8.56639 12.899 numMergedOcc 0
10 mol 75 unq 3 iso 0 dist 8.2147 13.5815 7.79912 20.4429 13.8905 6.96759 18.603 10.4899 8.59017 8.41332 numMergedOcc 0
11 mol 75 unq 4 iso 0 dist 8.2147 13.5815 7.79912 18.4305 11.2774 6.97318 13.0332 5.64643 8.56639 11.0206 numMergedOcc 0
12 mol 75 unq 5 iso 0 dist 8.2147 13.5815 7.79912 18.4305 11.2774 6.97318 18.603 10.4899 8.59017 6.56982 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 21.8495 15.3279 9.67557 17.1838 10.7229 7.95579 6.53819 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 21.8495 15.3279 9.67557 13.2962 6.9948 6.19965 9.9705 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 20.3628 12.9061 9.22737 15.3021 8.8807 6.65086 6.60925 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 20.3628 12.9061 9.22737 18.6091 12.6515 6.56369 4.95357 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 20.3628 12.9061 9.22737 19.8697 13.887 9.30209 5.05858 numMergedOcc 0
18 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 20.346 12.9061 9.22737 17.1897 8.8807 6.65086 6.60925 numMergedOcc 0
19 mol 100 unq 4 iso 0 dist 9.56324 16.8752 7.47343 20.346 12.9061 9.22737 21.2171 12.6515 6.56369 4.95357 numMergedOcc 0
20 mol 100 unq 5 iso 0 dist 9.56324 16.8752 7.47343 20.346 12.9061 9.22737 22.2677 13.887 9.30209 5.05858 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 17.3785 10.9791 7.9258 12.9647 7.69052 5.83991 4.75197 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 17.3756 11.993 8.52924 12.9169 7.38516 6.03031 7.17157 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.15806 10.6362 7.26832 17.3756 11.993 8.52924 17.5925 13.8543 7.80463 9.67882 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 11.7342 8.47937 6.77368 8.5834 6.8425 7.54212 10.4837 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 8.7419 5.01062 6.00706 7.99609 4.81992 7.73634 8.5834 6.8425 7.54212 9.69122 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 8.5834 5.01062 7.54212 11.7342 10.4837 6.77368 8.7419 6.8425 6.00706 8.47937 numMergedOcc 0
27 mol 222 unq 3 iso 0 dist 8.5834 5.01062 7.54212 7.99609 9.69122 7.73634 8.7419 6.8425 6.00706 4.81992 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.21585 5.13233 6.42289 8.73425 5.90131 9.04358 10.7821 7.26417 6.60405 8.81588 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.95681 5.79827 8.02547 9.76033 9.40373 5.00128 10.8774 10.0727 8.43057 5.09097 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.95681 5.79827 8.02547 9.76033 9.40373 5.00128 9.05762 5.51688 6.05727 4.86901 numMergedOcc 0
31 mol 261 unq 2 iso 0 dist 9.95681 5.79827 8.02547 12.1178 10.3517 6.58604 10.8774 10.0727 8.43057 11.9784 numMergedOcc 0
32 mol 261 unq 3 iso 0 dist 9.95681 5.79827 8.02547 12.1178 10.3517 6.58604 9.05762 5.51688 6.05727 9.47323 numMergedOcc 0
33 mol 261 unq 4 iso 0 dist 9.95681 5.79827 8.02547 11.9931 6.43209 7.30472 10.8774 10.0727 8.43057 11.6843 numMergedOcc 0
34 mol 261 unq 5 iso 0 dist 9.95681 5.79827 8.02547 11.9931 6.43209 7.30472 9.05762 5.51688 6.05727 7.78464 numMergedOcc 0
35 mol 261 unq 6 iso 0 dist 9.05762 5.79827 6.05727 9.76033 4.86901 5.00128 9.95681 5.51688 8.02547 9.40373 numMergedOcc 0
36 mol 261 unq 7 iso 0 dist 9.05762 5.79827 6.05727 9.76033 4.86901 5.00128 10.8774 4.63549 8.43057 5.09097 numMergedOcc 0
37 mol 261 unq 8 iso 0 dist 9.05762 5.79827 6.05727 12.1178 9.47323 6.58604 9.95681 5.51688 8.02547 10.3517 numMergedOcc 0
38 mol 261 unq 9 iso 0 dist 9.05762 5.79827 6.05727 12.1178 9.47323 6.58604 10.8774 4.63549 8.43057 11.9784 numMergedOcc 0
39 mol 261 unq 10 iso 0 dist 9.05762 5.79827 6.05727 11.9931 7.78464 7.30472 9.95681 5.51688 8.02547 6.43209 numMergedOcc 0
40 mol 261 unq 11 iso 0 dist 9.05762 5.79827 6.05727 11.9931 7.78464 7.30472 10.8774 4.63549 8.43057 11.6843 numMergedOcc 0
