0 mol 52 unq 0 iso 0 dist 9.89949 7.68916 10.8037 11.9986 18.4065 9.80098 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 9.89949 7.68916 10.8037 13.3091 18.0843 7.34143 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.17977 7.67586 5.34079 5.03832 8.05508 6.85766 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 6.17977 7.67586 5.34079 11.7065 12.5028 7.71095 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.79055 5.89394 7.17015 6.80709 13.8155 7.4729 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.79055 5.89394 7.17015 6.20561 11.9838 6.82344 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 9.28919 5.89394 4.52119 6.80709 11.8917 7.4729 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 9.28919 5.89394 4.52119 6.20561 9.79361 6.82344 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.54807 6.05043 5.33325 6.40193 9.65047 7.27724 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 6.34761 5.87387 5.74067 6.4595 11.6386 7.5732 numMergedOcc 0
10 mol 114 unq 1 iso 0 dist 6.34761 6.06543 4.1386 5.51609 9.44713 7.35754 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 4.38961 5.09114 4.42285 6.01457 9.69426 8.37808 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.74464 6.38977 5.6098 6.82985 6.31125 8.40312 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.74464 9.69757 4.29914 6.82985 6.31125 7.12972 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 8.01303 6.64164 8.66436 5.361 5.59806 9.87651 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 8.67838 6.07676 4.11061 6.05039 11.5719 8.03334 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.40514 8.03567 5.97308 8.18892 10.4693 9.70748 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.40514 8.03567 5.97308 8.339 11.5274 7.54065 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 8.40514 8.03567 5.97308 12.2966 14.549 8.87694 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 6.99474 7.92766 10.6493 14.0488 16.8304 7.10633 numMergedOcc 0
20 mol 204 unq 1 iso 0 dist 6.99474 7.92766 10.6493 7.58285 13.8331 8.51516 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 6.99667 8.3035 4.55245 6.23589 4.84709 8.82096 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 6.22499 9.01896 4.55245 7.3913 4.84709 8.82096 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 6.79839 8.93637 8.0303 14.8074 10.6535 9.23153 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 7.49227 9.93154 8.65229 6.78651 11.3366 9.34734 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 7.49227 9.18218 13.0161 6.78651 11.3366 7.56888 numMergedOcc 0
26 mol 227 unq 2 iso 0 dist 7.49227 6.18486 11.8065 6.78651 11.3366 7.55216 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.37648 6.49599 7.49016 14.1932 15.2047 8.13497 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.37648 6.49599 7.49016 13.8605 13.4991 7.88519 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 6.37648 9.34738 6.30197 13.8605 13.4991 7.84554 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 6.37648 9.47382 9.84081 13.8605 13.4991 7.46176 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 5.19015 7.22438 8.31324 10.3544 14.5021 8.33638 numMergedOcc 0
32 mol 272 unq 1 iso 0 dist 5.19015 7.66615 9.38679 11.4664 15.9687 9.97651 numMergedOcc 0
33 mol 272 unq 2 iso 0 dist 5.19015 7.66615 9.38679 10.3544 14.5021 8.46116 numMergedOcc 0
34 mol 276 unq 0 iso 0 dist 9.63988 7.11272 14.3233 5.75852 14.3293 6.87396 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 9.22345 5.69465 8.04474 8.46956 9.30668 8.2734 numMergedOcc 0
36 mol 294 unq 0 iso 0 dist 7.43031 7.1984 5.895 6.23921 11.9211 8.15665 numMergedOcc 0
