0 mol 67 unq 0 iso 0 dist 4.52009 8.57393 5.52457 7.26324 6.58279 9.0008 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 8.28902 6.04885 5.52457 10.2724 6.58279 9.0008 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 8.07051 9.01727 7.59628 5.22561 9.95103 7.09065 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 6.13194 8.68825 4.95298 9.41836 9.5002 9.07734 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.39818 9.87854 8.00732 8.10869 6.13508 7.26955 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 8.20024 4.86894 5.41014 10.4027 13.1853 9.30424 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 7.19059 4.86894 5.45952 10.4027 11.6873 9.30424 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 7.76167 6.3102 6.94302 6.35087 10.5563 8.28564 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 8.63766 6.3102 12.3565 6.35087 13.1367 8.28564 numMergedOcc 0
9 mol 148 unq 2 iso 0 dist 8.42082 6.3102 5.58057 6.35087 7.32163 8.28564 numMergedOcc 0
10 mol 148 unq 3 iso 0 dist 6.81055 4.7785 8.95758 6.57631 12.0052 8.73468 numMergedOcc 0
11 mol 148 unq 4 iso 0 dist 6.81055 4.7785 8.95758 8.40891 11.7851 9.73927 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 7.83202 6.25629 6.83379 6.38252 10.5647 8.39475 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 8.7107 6.25629 12.2713 6.38252 13.062 8.39475 numMergedOcc 0
14 mol 150 unq 2 iso 0 dist 8.47493 6.25629 5.55906 6.38252 7.42372 8.39475 numMergedOcc 0
15 mol 150 unq 3 iso 0 dist 6.77966 4.79493 8.91883 6.56068 12.0168 8.73558 numMergedOcc 0
16 mol 150 unq 4 iso 0 dist 6.77966 4.79493 8.91883 8.32178 11.6886 9.66129 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 8.46837 9.89595 10.3893 11.7605 9.6281 5.81122 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.00353 5.35423 6.18134 8.86184 13.2591 9.86703 numMergedOcc 0
19 mol 199 unq 0 iso 0 dist 6.6037 5.64398 5.30702 11.0326 13.9219 9.38376 numMergedOcc 0
20 mol 199 unq 1 iso 0 dist 7.91016 6.62547 6.16438 5.83085 10.5259 9.38376 numMergedOcc 0
21 mol 199 unq 2 iso 0 dist 7.21813 5.64398 6.16438 11.0326 10.5259 9.38376 numMergedOcc 0
22 mol 199 unq 3 iso 0 dist 9.74632 5.64398 10.9791 11.0326 19.3388 9.38376 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 6.93858 5.61473 5.17976 9.50998 10.5531 8.1931 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 8.78029 7.48307 6.62271 15.585 14.627 9.01462 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 9.68049 9.01911 14.2012 6.19393 14.6626 6.44252 numMergedOcc 0
26 mol 250 unq 1 iso 0 dist 8.19924 9.01911 13.9274 6.19393 12.5245 6.44252 numMergedOcc 0
27 mol 250 unq 2 iso 0 dist 8.01457 9.01911 6.88928 6.19393 5.99119 6.44252 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 7.70069 9.39803 10.685 10.6962 13.042 5.81266 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 8.80158 7.15628 9.29471 14.2963 16.1215 8.87606 numMergedOcc 0
30 mol 294 unq 1 iso 0 dist 9.83824 9.54237 7.79284 5.85169 9.7659 7.36811 numMergedOcc 0
31 mol 294 unq 2 iso 0 dist 5.49473 9.54237 7.94082 5.85169 6.1268 7.36811 numMergedOcc 0
