0 mol 11 unq 0 iso 0 dist 9.78518 8.14553 6.79478 12.9765 8.3846 7.27724 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 6.30479 10.9873 7.97656 6.59674 8.05984 11.1987 numMergedOcc 0
2 mol 69 unq 0 iso 0 dist 9.2309 11.9105 9.90199 10.6046 6.21735 4.77089 numMergedOcc 0
3 mol 69 unq 1 iso 0 dist 9.2309 11.9105 9.90199 8.3355 7.78321 12.9801 numMergedOcc 0
4 mol 69 unq 2 iso 0 dist 9.2309 4.59504 9.74996 10.6046 6.21735 13.0324 numMergedOcc 0
5 mol 69 unq 3 iso 0 dist 9.2309 4.59504 9.74996 8.3355 7.78321 11.1718 numMergedOcc 0
6 mol 69 unq 4 iso 0 dist 9.2309 6.09189 8.21667 10.6046 6.21735 6.75422 numMergedOcc 0
7 mol 69 unq 5 iso 0 dist 9.2309 6.09189 8.21667 8.3355 7.78321 5.16281 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.81722 5.50724 6.89722 9.12921 6.4154 7.41074 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.27446 6.67306 9.68526 5.73876 9.67601 12.3103 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 8.27446 14.8739 7.26679 5.73876 9.67601 15.1106 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 8.27446 8.62642 9.30776 5.73876 9.67601 6.04779 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.97109 5.10538 7.38759 6.34148 7.42204 9.32452 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 5.15752 5.26061 9.43411 6.87786 9.50209 4.32286 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 5.15752 8.90571 9.80678 6.87786 9.50209 5.498 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 8.90273 9.83765 6.86946 4.55723 5.52706 5.60178 numMergedOcc 0
16 mol 140 unq 0 iso 0 dist 9.69499 7.49203 9.93572 6.60552 7.79467 8.17877 numMergedOcc 0
17 mol 182 unq 0 iso 0 dist 9.68167 5.4214 7.86625 15.7114 9.23118 11.1088 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 8.81385 6.17038 8.7347 5.66378 5.04916 7.61682 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 8.24507 12.0564 8.90885 9.70951 6.8391 4.89568 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 8.24507 12.0564 8.90885 5.35494 6.06557 11.5447 numMergedOcc 0
21 mol 273 unq 2 iso 0 dist 8.24507 14.7847 9.96963 9.70951 6.8391 5.14347 numMergedOcc 0
22 mol 273 unq 3 iso 0 dist 8.24507 14.7847 9.96963 5.35494 6.06557 11.9894 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 5.73065 8.05749 8.57532 6.75676 6.73204 5.01729 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 5.73065 13.2922 9.02914 6.75676 6.73204 10.7534 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 5.73065 11.9195 6.90434 6.75676 6.73204 12.6113 numMergedOcc 0
