0 mol 48 unq 0 iso 0 dist 8.38139 7.77714 5.24524 3.42062 9.07283 9.77004 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.38139 7.77714 5.24524 13.5492 12.7503 8.36323 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 5.12277 6.71884 7.01781 9.96122 10.4609 9.07741 numMergedOcc 0
3 mol 55 unq 1 iso 0 dist 5.12277 6.71884 7.01781 5.32648 6.58179 8.0388 numMergedOcc 0
4 mol 55 unq 2 iso 0 dist 5.12277 6.71884 7.01781 12.7872 11.537 9.7883 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.4196 9.97224 9.39076 3.30756 11.4147 9.2934 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 7.61513 9.97224 6.25934 3.30756 8.51839 9.2934 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.22609 7.76044 9.23649 6.40052 12.3346 9.07614 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.55624 6.98876 5.36674 11.5086 14.8183 9.83944 numMergedOcc 0
9 mol 111 unq 0 iso 0 dist 5.68841 8.38367 4.53184 7.42165 6.33923 7.36025 numMergedOcc 0
10 mol 111 unq 1 iso 0 dist 5.68841 8.38367 4.53184 7.93667 9.9801 9.60251 numMergedOcc 0
11 mol 111 unq 2 iso 0 dist 5.68841 7.95205 5.25493 3.83194 8.51084 8.48433 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.61273 9.76171 4.30029 10.3846 10.6099 7.78914 numMergedOcc 0
13 mol 176 unq 0 iso 0 dist 6.21825 6.02559 5.74134 3.71345 4.67031 7.69241 numMergedOcc 0
14 mol 176 unq 1 iso 0 dist 6.21825 6.02559 5.74134 12.3716 14.2842 8.56192 numMergedOcc 0
15 mol 176 unq 2 iso 0 dist 6.21825 6.02559 5.74134 8.25138 8.98043 7.77962 numMergedOcc 0
16 mol 176 unq 3 iso 0 dist 6.21825 6.02559 5.74134 7.10617 6.8243 8.6431 numMergedOcc 0
17 mol 176 unq 4 iso 0 dist 8.95504 6.02559 6.43713 3.71345 10.9465 7.69241 numMergedOcc 0
18 mol 176 unq 5 iso 0 dist 8.95504 6.02559 6.43713 12.3716 9.74525 8.56192 numMergedOcc 0
19 mol 176 unq 6 iso 0 dist 8.95504 6.02559 6.43713 8.25138 14.0725 7.77962 numMergedOcc 0
20 mol 176 unq 7 iso 0 dist 8.95504 6.02559 6.43713 7.10617 14.1409 8.6431 numMergedOcc 0
21 mol 184 unq 0 iso 0 dist 7.39164 5.34832 7.53305 10.8625 16.3104 8.98606 numMergedOcc 0
22 mol 283 unq 0 iso 0 dist 9.74822 5.78449 5.08363 9.8348 7.17276 8.91437 numMergedOcc 0
