0 mol 14 unq 0 iso 0 dist 8.60571 7.12085 9.7022 11.6604 6.03847 8.82819 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 8.60571 10.9516 9.58196 11.6604 6.03847 5.36937 numMergedOcc 0
2 mol 14 unq 2 iso 0 dist 8.60571 11.3111 9.04767 12.1635 4.75873 7.73217 numMergedOcc 0
3 mol 14 unq 3 iso 0 dist 8.60571 11.3111 9.04767 11.6604 6.03847 5.99703 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 14.9388 12.8257 9.80897 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 7.51406 6.4487 8.34347 12.9691 8.70636 8.37225 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 10.5084 14.0204 8.03754 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 7.98444 8.50779 8.95999 8.88969 5.03467 9.75265 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 7.63663 14.2824 9.65964 9.67549 5.43139 9.74802 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.7212 6.12361 9.78528 13.3206 13.7926 8.4143 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.10011 8.3449 5.93252 9.63452 4.60412 9.41049 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 13.2901 9.59988 7.23812 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 6.7939 7.80518 7.23812 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 8.27015 12.6626 8.70481 8.44695 7.80518 7.23812 numMergedOcc 0
14 mol 75 unq 0 iso 0 dist 8.2147 13.5815 7.79912 21.8212 14.2474 9.20448 numMergedOcc 0
15 mol 75 unq 1 iso 0 dist 8.2147 13.5815 7.79912 20.4429 13.8905 6.96759 numMergedOcc 0
16 mol 75 unq 2 iso 0 dist 8.2147 13.5815 7.79912 18.4305 11.2774 6.97318 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 21.8495 15.3279 9.67557 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 20.3628 12.9061 9.22737 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 9.56324 16.8752 7.47343 20.346 12.9061 9.22737 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 17.3785 10.9791 7.9258 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 10.6541 6.13737 8.59695 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 7.26325 5.12351 6.42706 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 17.3756 11.993 8.52924 numMergedOcc 0
24 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 12.3462 8.42394 9.62543 numMergedOcc 0
25 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 11.6012 8.42394 9.62543 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 11.7342 8.47937 6.77368 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 8.7419 5.01062 6.00706 7.99609 4.81992 7.73634 numMergedOcc 0
28 mol 222 unq 2 iso 0 dist 8.5834 5.01062 7.54212 11.7342 10.4837 6.77368 numMergedOcc 0
29 mol 222 unq 3 iso 0 dist 8.5834 5.01062 7.54212 7.99609 9.69122 7.73634 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 9.73411 14.1073 8.95269 19.2092 12.8561 7.49783 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 7.07564 11.8217 8.95269 12.1661 12.8561 7.49783 numMergedOcc 0
32 mol 229 unq 0 iso 0 dist 5.00457 6.23084 9.06952 6.86281 6.36273 8.68804 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.44862 10.4505 6.97229 16.9323 9.80642 7.69358 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.21585 5.13233 6.42289 8.73425 5.90131 9.04358 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 6.82526 10.3274 8.45658 12.544 6.75336 7.00833 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 9.95681 5.79827 8.02547 9.76033 9.40373 5.00128 numMergedOcc 0
37 mol 261 unq 2 iso 0 dist 9.95681 5.79827 8.02547 12.1178 10.3517 6.58604 numMergedOcc 0
38 mol 261 unq 3 iso 0 dist 9.95681 5.79827 8.02547 11.9931 6.43209 7.30472 numMergedOcc 0
39 mol 261 unq 4 iso 0 dist 9.05762 5.79827 6.05727 9.76033 4.86901 5.00128 numMergedOcc 0
40 mol 261 unq 5 iso 0 dist 9.05762 5.79827 6.05727 12.1178 9.47323 6.58604 numMergedOcc 0
41 mol 261 unq 6 iso 0 dist 9.05762 5.79827 6.05727 11.9931 7.78464 7.30472 numMergedOcc 0
42 mol 280 unq 0 iso 0 dist 8.80588 8.30978 6.53701 6.38295 8.26589 5.41639 numMergedOcc 0
43 mol 280 unq 1 iso 0 dist 8.80588 5.80223 6.0664 6.38295 8.26589 7.96485 numMergedOcc 0
