0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 7.16694 9.16606 6.94181 numMergedOcc 0
1 mol 14 unq 0 iso 0 dist 9.42387 6.30573 5.55214 5.91419 9.82883 8.60571 numMergedOcc 0
2 mol 14 unq 1 iso 0 dist 7.59564 6.30573 4.75873 5.91419 12.1635 8.60571 numMergedOcc 0
3 mol 14 unq 2 iso 0 dist 8.10957 6.30573 6.03847 5.91419 11.6604 8.60571 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.204 8.37503 11.4088 6.78528 13.7912 6.83481 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.43409 8.04926 3.73188 5.81148 8.0757 8.40931 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 8.27009 8.64208 13.0612 6.22963 8.01856 8.70949 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 5.80736 8.64208 11.8891 6.22963 11.1966 8.70949 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 8.70964 8.24121 6.57301 16.9712 13.5237 9.37094 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.54778 5.97879 5.0333 9.53071 13.9107 9.62866 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.41083 7.83568 11.8582 6.0336 14.0429 6.55511 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 9.2094 8.03603 6.35314 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.13339 8.28732 7.94378 5.90456 6.55217 9.89896 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 9.54337 8.55431 12.3309 16.0092 21.3829 9.21254 numMergedOcc 0
14 mol 159 unq 1 iso 0 dist 6.86212 8.55431 5.10423 16.0092 13.6962 9.21254 numMergedOcc 0
15 mol 159 unq 2 iso 0 dist 9.9368 8.55431 7.18851 16.0092 12.8741 9.21254 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 6.59407 9.42819 9.00663 13.5359 15.8431 8.46796 numMergedOcc 0
17 mol 174 unq 0 iso 0 dist 8.16228 7.03029 4.69892 5.38744 9.56869 6.04817 numMergedOcc 0
18 mol 174 unq 1 iso 0 dist 8.57467 7.03029 4.99043 5.38744 7.37131 6.04817 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 9.89039 8.9077 13.6952 11.9931 16.6963 6.21273 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 8.57174 8.9077 13.8822 11.9931 18.4836 6.21273 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 11.8106 16.669 5.62804 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 9.44182 16.3204 6.83046 numMergedOcc 0
23 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 9.79222 12.5259 9.68888 numMergedOcc 0
24 mol 250 unq 0 iso 0 dist 8.69437 5.32724 5.58623 7.12213 13.1369 7.63152 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 8.10903 9.67877 13.3533 16.1624 21.4236 8.40766 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 5.79358 8.73425 8.21585 numMergedOcc 0
27 mol 258 unq 2 iso 0 dist 8.70193 7.9357 4.51422 7.88062 9.65711 8.21585 numMergedOcc 0
28 mol 258 unq 3 iso 0 dist 7.25618 9.67877 15.0574 16.1624 22.099 8.40766 numMergedOcc 0
29 mol 258 unq 4 iso 0 dist 7.25618 8.81059 4.51422 5.79358 9.65711 8.21585 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 8.88741 7.15785 6.43209 5.72823 11.9931 9.95681 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 8.88741 9.43169 7.78464 5.72823 11.9931 9.05762 numMergedOcc 0
32 mol 274 unq 0 iso 0 dist 9.34051 9.81087 7.24261 9.24343 11.7974 5.82876 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 4.77763 11.6898 8.68797 numMergedOcc 0
