0 mol 4 unq 0 iso 0 dist 5.30385 9.77024 10.3461 6.97734 5.39676 12.9411 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 9.77024 5.30385 10.3461 6.97734 12.9411 5.39676 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 9.18836 6.07294 10.1421 8.45859 15.3135 6.00929 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 6.07294 9.18836 10.1421 8.45859 6.00929 15.3135 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.8073 5.60663 9.17835 7.49794 13.357 6.34854 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 5.60663 6.8073 9.17835 7.49794 6.34854 13.357 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.3768 8.13535 4.5576 9.85386 11.1804 14.019 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 8.13535 8.3768 4.5576 9.85386 14.019 11.1804 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.3768 8.13535 4.5576 4.8983 4.39723 4.1846 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 8.13535 8.3768 4.5576 4.8983 4.1846 4.39723 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.99438 6.64915 4.44577 6.65972 10.2709 9.87964 numMergedOcc 0
11 mol 79 unq 0 iso 1 dist 6.64915 7.99438 4.44577 6.65972 9.87964 10.2709 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 7.99438 6.64915 4.44577 4.2253 6.1647 4.31939 numMergedOcc 0
13 mol 79 unq 1 iso 1 dist 6.64915 7.99438 4.44577 4.2253 4.31939 6.1647 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.74593 8.02376 6.3583 4.91714 3.98877 8.90513 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 8.02376 5.74593 6.3583 4.91714 8.90513 3.98877 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.15654 7.89887 6.36037 6.61645 3.87825 8.8033 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 7.89887 6.15654 6.36037 6.61645 8.8033 3.87825 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 7.13064 7.8962 4.37353 8.55758 5.64998 4.34681 numMergedOcc 0
19 mol 93 unq 0 iso 1 dist 7.8962 7.13064 4.37353 8.55758 4.34681 5.64998 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 7.13064 7.8962 4.37353 7.44027 4.76749 5.73248 numMergedOcc 0
21 mol 93 unq 1 iso 1 dist 7.8962 7.13064 4.37353 7.44027 5.73248 4.76749 numMergedOcc 0
22 mol 120 unq 0 iso 0 dist 5.12002 8.46914 6.60099 7.06763 4.26413 3.64386 numMergedOcc 0
23 mol 120 unq 0 iso 1 dist 8.46914 5.12002 6.60099 7.06763 3.64386 4.26413 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.2802 7.2843 8.1916 7.90621 3.74763 4.87674 numMergedOcc 0
25 mol 186 unq 0 iso 1 dist 7.2843 9.2802 8.1916 7.90621 4.87674 3.74763 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.2802 7.2843 8.1916 8.0943 4.4787 8.72129 numMergedOcc 0
27 mol 186 unq 1 iso 1 dist 7.2843 9.2802 8.1916 8.0943 8.72129 4.4787 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 8.09776 5.4455 9.4131 7.56217 12.7379 3.7326 numMergedOcc 0
29 mol 194 unq 0 iso 1 dist 5.4455 8.09776 9.4131 7.56217 3.7326 12.7379 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 8.09776 5.4455 9.4131 9.81055 15.4151 7.29209 numMergedOcc 0
31 mol 194 unq 1 iso 1 dist 5.4455 8.09776 9.4131 9.81055 7.29209 15.4151 numMergedOcc 0
32 mol 273 unq 0 iso 0 dist 9.57659 7.8424 5.57478 8.13393 6.18399 3.91587 numMergedOcc 0
33 mol 273 unq 0 iso 1 dist 7.8424 9.57659 5.57478 8.13393 3.91587 6.18399 numMergedOcc 0
