0 mol 67 unq 0 iso 0 dist 8.27009 7.9572 10.6864 6.22963 8.01856 11.6368 10.7873 4.29326 10.8544 9.25638 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 8.27009 8.64208 13.0612 6.22963 8.01856 8.70949 10.7873 4.29326 12.5944 9.25638 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 8.8353 9.89098 16.1558 7.82218 5.92836 17.2705 10.9375 4.43841 19.0949 4.73804 numMergedOcc 0
3 mol 140 unq 0 iso 0 dist 9.13339 8.28732 7.94378 5.90456 6.55217 9.89896 11.3016 5.17212 9.09814 7.21686 numMergedOcc 0
4 mol 162 unq 0 iso 0 dist 6.59407 9.42819 9.00663 8.59214 7.08934 14.2175 11.1626 4.82565 12.6319 8.87346 numMergedOcc 0
5 mol 174 unq 0 iso 0 dist 8.16228 7.03029 4.69892 5.38744 9.56869 6.04817 8.57467 5.33032 4.99043 7.37131 numMergedOcc 0
6 mol 174 unq 1 iso 0 dist 8.57467 7.03029 4.99043 5.38744 7.37131 6.04817 8.16228 5.33032 4.69892 9.56869 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 4.81837 6.57849 5.47046 6.25023 7.25362 11.5674 10.7551 10.4442 12.3312 8.63185 numMergedOcc 0
8 mol 223 unq 0 iso 0 dist 6.97426 9.94212 15.9255 4.68566 7.96628 13.4805 8.87456 4.71901 17.7343 7.76053 numMergedOcc 0
9 mol 223 unq 1 iso 0 dist 6.97426 7.34316 8.64175 4.68566 7.96628 11.0403 8.87456 4.71901 12.9895 7.76053 numMergedOcc 0
10 mol 223 unq 2 iso 0 dist 8.87456 9.94212 17.7343 4.68566 7.76053 13.4805 6.97426 4.71901 15.9255 7.96628 numMergedOcc 0
11 mol 223 unq 3 iso 0 dist 8.87456 7.34316 12.9895 4.68566 7.76053 11.0403 6.97426 4.71901 8.64175 7.96628 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 9.9685 9.29603 11.0679 7.17017 8.22515 14.5947 9.46473 8.70123 11.4445 9.64659 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 8.10903 9.67877 13.3533 5.79358 8.73425 12.6095 7.25618 5.31174 15.0574 9.65711 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 5.79358 8.73425 8.21585 7.25618 5.31174 4.51422 9.65711 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 8.10903 9.12006 9.68064 5.79358 8.73425 10.6274 7.25618 5.31174 4.99997 9.65711 numMergedOcc 0
16 mol 258 unq 3 iso 0 dist 8.70193 7.9357 4.51422 7.88062 9.65711 8.21585 11.866 5.31174 5.90131 8.73425 numMergedOcc 0
17 mol 258 unq 4 iso 0 dist 8.70193 5.79537 4.99997 7.88062 9.65711 10.6274 11.866 5.31174 9.68064 8.73425 numMergedOcc 0
18 mol 258 unq 5 iso 0 dist 7.25618 9.67877 15.0574 5.79358 9.65711 12.6095 8.10903 5.31174 13.3533 8.73425 numMergedOcc 0
19 mol 258 unq 6 iso 0 dist 7.25618 8.81059 4.51422 5.79358 9.65711 8.21585 8.10903 5.31174 5.90131 8.73425 numMergedOcc 0
20 mol 258 unq 7 iso 0 dist 7.25618 9.12006 4.99997 5.79358 9.65711 10.6274 8.10903 5.31174 9.68064 8.73425 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 6.29331 8.25759 11.1786 6.0437 5.29945 4.25662 6.99444 numMergedOcc 0
22 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 6.29331 6.99444 11.1786 7.58385 5.29945 6.88989 8.25759 numMergedOcc 0
23 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 6.40309 6.99444 11.1786 9.25991 5.29945 6.88989 8.25759 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 5.78262 6.54753 4.77695 7.01631 7.84151 10.3979 14.2673 12.9925 15.0014 7.85797 numMergedOcc 0
