0 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 5.90113 9.74445 8.80331 10.5084 8.75469 14.0204 8.03754 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 8.71615 6.7212 5.46166 6.12361 13.8194 9.78528 13.3206 18.4489 13.7926 8.4143 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 8.3449 11.905 5.93252 9.63452 10.8619 4.60412 9.41049 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.4367 6.89722 6.19304 13.2901 7.92924 9.59988 7.23812 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 8.3449 14.8258 5.93252 9.63452 10.996 4.60412 9.41049 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.40844 8.124 5.44275 13.4367 7.26679 6.19304 13.2901 5.4653 9.59988 7.23812 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 6.99156 6.10011 10.4402 8.3449 14.0323 5.93252 9.63452 13.2175 4.60412 9.41049 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 6.99156 8.124 8.0624 13.4367 10.1503 6.19304 13.2901 7.09483 9.59988 7.23812 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 7.02351 8.16299 11.2674 10.3774 7.26679 8.70481 6.7939 5.4653 7.80518 7.23812 numMergedOcc 0
9 mol 75 unq 0 iso 0 dist 8.47302 8.2147 5.4217 13.5815 13.0997 7.79912 21.8212 18.4747 14.2474 9.20448 numMergedOcc 0
10 mol 75 unq 1 iso 0 dist 8.47302 8.2147 5.4217 13.5815 13.0997 7.79912 20.4429 18.8593 13.8905 6.96759 numMergedOcc 0
11 mol 75 unq 2 iso 0 dist 8.47302 8.2147 5.4217 13.5815 13.0997 7.79912 18.4305 15.8331 11.2774 6.97318 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 8.65539 6.14896 7.49966 9.80484 14.3923 7.56373 12.3462 14.9813 8.42394 9.62543 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 11.7342 13.6797 8.47937 6.77368 numMergedOcc 0
14 mol 222 unq 1 iso 0 dist 7.10689 8.7419 8.81265 5.01062 8.7347 6.00706 7.99609 9.50337 4.81992 7.73634 numMergedOcc 0
15 mol 222 unq 2 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 11.7342 13.6797 10.4837 6.77368 numMergedOcc 0
16 mol 222 unq 3 iso 0 dist 7.10689 8.5834 4.28891 5.01062 8.7347 7.54212 7.99609 9.50337 9.69122 7.73634 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 14.1073 20.6047 8.95269 19.2092 26.3159 12.8561 7.49783 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 7.7163 7.07564 5.63485 11.8217 9.34636 8.95269 12.1661 9.9943 12.8561 7.49783 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 9.2 7.07564 4.8786 11.8217 12.8171 8.95269 12.1661 15.4761 12.8561 7.49783 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 6.59521 8.21585 9.22664 5.13233 8.58088 6.42289 8.73425 5.27718 5.90131 9.04358 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.56414 9.95681 4.50761 5.79827 10.2386 8.02547 9.76033 12.8162 9.40373 5.00128 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 9.56414 9.95681 4.50761 5.79827 10.2386 8.02547 12.1178 13.8291 10.3517 6.58604 numMergedOcc 0
23 mol 261 unq 2 iso 0 dist 9.56414 9.95681 4.50761 5.79827 10.2386 8.02547 11.9931 10.1876 6.43209 7.30472 numMergedOcc 0
24 mol 261 unq 3 iso 0 dist 9.56414 9.05762 8.80293 5.79827 10.2386 6.05727 9.76033 12.8162 4.86901 5.00128 numMergedOcc 0
25 mol 261 unq 4 iso 0 dist 9.56414 9.05762 8.80293 5.79827 10.2386 6.05727 12.1178 13.8291 9.47323 6.58604 numMergedOcc 0
26 mol 261 unq 5 iso 0 dist 9.56414 9.05762 8.80293 5.79827 10.2386 6.05727 11.9931 10.1876 7.78464 7.30472 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 9.047 8.80588 14.1091 8.30978 16.7212 6.53701 6.38295 14.0927 8.26589 5.41639 numMergedOcc 0
28 mol 280 unq 1 iso 0 dist 9.047 8.80588 14.1091 5.80223 13.1827 6.0664 6.38295 14.0927 8.26589 7.96485 numMergedOcc 0
29 mol 280 unq 2 iso 0 dist 9.9227 8.80588 4.95798 8.30978 11.1402 6.53701 6.38295 11.4101 8.26589 5.41639 numMergedOcc 0
30 mol 280 unq 3 iso 0 dist 9.9227 8.80588 4.95798 5.80223 8.85762 6.0664 6.38295 11.4101 8.26589 7.96485 numMergedOcc 0
