0 mol 27 unq 0 iso 0 dist 9.48375 9.62305 15.4799 5.84177 14.1773 8.71752 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.48375 9.62305 15.4799 6.25033 7.96312 7.60283 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 6.85127 9.62305 14.1714 5.84177 12.632 8.71752 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 6.85127 9.62305 14.1714 6.25033 7.67129 7.60283 numMergedOcc 0
4 mol 27 unq 4 iso 0 dist 8.58169 9.62305 12.3417 5.84177 12.7052 8.71752 numMergedOcc 0
5 mol 27 unq 5 iso 0 dist 8.58169 9.62305 12.3417 6.25033 10.5605 7.60283 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 6.57749 8.57393 12.2982 7.26324 6.07108 9.0008 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 5.72494 8.68825 11.8761 9.41836 12.9296 9.07734 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 8.70106 8.68825 13.2825 9.41836 10.0799 9.07734 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.82151 6.41059 5.80806 5.84237 7.81731 7.70313 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.76501 4.86894 5.70415 10.4027 13.9384 9.30424 numMergedOcc 0
11 mol 148 unq 0 iso 0 dist 8.80448 6.3102 10.3367 6.35087 14.8644 8.28564 numMergedOcc 0
12 mol 148 unq 1 iso 0 dist 8.60157 4.7785 6.43817 6.57631 6.86997 8.73468 numMergedOcc 0
13 mol 148 unq 2 iso 0 dist 8.60157 4.7785 6.43817 8.40891 7.46919 9.73927 numMergedOcc 0
14 mol 148 unq 3 iso 0 dist 6.72591 4.7785 6.16168 6.57631 11.5345 8.73468 numMergedOcc 0
15 mol 148 unq 4 iso 0 dist 6.72591 4.7785 6.16168 8.40891 14.2261 9.73927 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 8.78855 6.25629 10.2679 6.38252 14.8673 8.39475 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 8.59359 4.79493 6.48058 6.56068 6.79381 8.73558 numMergedOcc 0
18 mol 150 unq 2 iso 0 dist 8.59359 4.79493 6.48058 8.32178 7.36989 9.66129 numMergedOcc 0
19 mol 150 unq 3 iso 0 dist 6.80192 4.79493 6.14967 6.56068 11.5855 8.73558 numMergedOcc 0
20 mol 150 unq 4 iso 0 dist 6.80192 4.79493 6.14967 8.32178 14.2195 9.66129 numMergedOcc 0
21 mol 157 unq 0 iso 0 dist 6.66184 9.63472 12.5837 8.72685 14.3982 6.455 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 9.58783 6.80155 14.1838 7.48749 12.4168 7.60254 numMergedOcc 0
23 mol 184 unq 0 iso 0 dist 9.0757 5.87728 12.848 5.71349 4.88303 9.75763 numMergedOcc 0
24 mol 184 unq 1 iso 0 dist 9.0757 6.71538 6.36605 5.71349 4.88303 7.0685 numMergedOcc 0
25 mol 184 unq 2 iso 0 dist 9.0757 8.58856 8.2618 5.71349 4.88303 6.44904 numMergedOcc 0
26 mol 184 unq 3 iso 0 dist 7.51045 6.76009 8.2618 8.54538 4.88303 6.44904 numMergedOcc 0
27 mol 192 unq 0 iso 0 dist 9.67207 8.15486 14.6227 5.76622 15.2501 7.33225 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 7.6174 5.61473 7.32691 9.50998 11.7168 8.1931 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 4.70107 7.48307 6.62046 15.585 13.3959 9.01462 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 7.19924 9.03093 10.9858 15.0148 13.931 7.02079 numMergedOcc 0
31 mol 239 unq 2 iso 0 dist 7.19924 9.03093 10.9858 5.93253 9.85821 5.88802 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 8.89938 5.84116 8.14394 6.09891 13.8986 9.24417 numMergedOcc 0
33 mol 278 unq 0 iso 0 dist 9.48559 7.08899 7.96744 3.5882 8.30195 7.48235 numMergedOcc 0
