0 mol 41 unq 0 iso 0 dist 9.10917 15.1624 9.18836 8.32241 8.45859 15.3135 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 9.10917 7.05771 6.07294 8.32241 8.45859 6.00929 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 9.20674 15.578 9.18836 3.64116 8.45859 15.3135 numMergedOcc 0
3 mol 41 unq 3 iso 0 dist 9.20674 5.5254 6.07294 3.64116 8.45859 6.00929 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.27237 3.99419 4.5673 5.68849 6.87036 3.61653 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.59094 12.9923 6.8073 10.2058 7.49794 13.357 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.59094 6.1548 5.60663 10.2058 7.49794 6.34854 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 7.51884 3.76088 8.3768 8.18573 9.85386 11.1804 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 7.51884 3.76088 8.3768 5.38431 4.8983 4.39723 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.51884 7.6888 8.13535 8.18573 9.85386 14.019 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 7.51884 7.6888 8.13535 5.38431 4.8983 4.1846 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 9.3404 6.43694 7.13064 9.10557 8.55758 5.64998 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.3404 6.43694 7.13064 6.47512 7.44027 4.76749 numMergedOcc 0
13 mol 93 unq 2 iso 0 dist 9.3404 10.3631 7.8962 9.10557 8.55758 4.34681 numMergedOcc 0
14 mol 93 unq 3 iso 0 dist 9.3404 10.3631 7.8962 6.47512 7.44027 5.73248 numMergedOcc 0
15 mol 93 unq 4 iso 0 dist 7.9497 7.20551 7.13064 6.18885 8.55758 5.64998 numMergedOcc 0
16 mol 93 unq 5 iso 0 dist 7.9497 7.20551 7.13064 3.60545 7.44027 4.76749 numMergedOcc 0
17 mol 93 unq 6 iso 0 dist 7.9497 9.14883 7.8962 6.18885 8.55758 4.34681 numMergedOcc 0
18 mol 93 unq 7 iso 0 dist 7.9497 9.14883 7.8962 3.60545 7.44027 5.73248 numMergedOcc 0
19 mol 124 unq 0 iso 0 dist 8.51998 13.1293 9.18949 9.65076 8.50362 9.91987 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 9.70736 10.8073 9.31025 6.43364 9.88912 6.17752 numMergedOcc 0
21 mol 162 unq 1 iso 0 dist 9.70736 10.8073 9.31025 7.49673 9.46218 15.8538 numMergedOcc 0
22 mol 162 unq 2 iso 0 dist 6.54133 8.99811 9.31025 5.33745 9.88912 6.17752 numMergedOcc 0
23 mol 162 unq 3 iso 0 dist 6.54133 8.99811 9.31025 8.38157 9.46218 15.8538 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 8.26543 8.23875 9.2802 4.88685 7.90621 3.74763 numMergedOcc 0
25 mol 186 unq 1 iso 0 dist 8.26543 8.23875 9.2802 6.22694 8.0943 4.4787 numMergedOcc 0
26 mol 186 unq 2 iso 0 dist 8.26543 5.37083 7.2843 4.88685 7.90621 4.87674 numMergedOcc 0
27 mol 186 unq 3 iso 0 dist 8.26543 5.37083 7.2843 6.22694 8.0943 8.72129 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 6.68198 7.71887 8.64294 10.1238 9.80396 5.35601 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 6.68198 7.71887 8.64294 3.58204 6.3093 6.06804 numMergedOcc 0
30 mol 253 unq 2 iso 0 dist 9.55759 9.99793 8.64294 9.0416 9.80396 5.35601 numMergedOcc 0
31 mol 253 unq 3 iso 0 dist 9.55759 9.99793 8.64294 4.47197 6.3093 6.06804 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 4.63676 8.61804 6.46935 5.82428 7.08681 8.21781 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 4.63676 8.61804 6.46935 8.54474 4.95596 9.60745 numMergedOcc 0
34 mol 285 unq 2 iso 0 dist 4.63676 8.61804 6.46935 7.20109 6.3508 12.3762 numMergedOcc 0
35 mol 285 unq 3 iso 0 dist 4.63676 8.61804 6.46935 10.3074 8.3005 8.69747 numMergedOcc 0
36 mol 285 unq 4 iso 0 dist 7.0448 12.3027 6.46935 11.2613 7.08681 8.21781 numMergedOcc 0
37 mol 285 unq 5 iso 0 dist 7.0448 12.3027 6.46935 7.379 4.95596 9.60745 numMergedOcc 0
38 mol 285 unq 6 iso 0 dist 7.0448 12.3027 6.46935 3.6241 6.3508 12.3762 numMergedOcc 0
39 mol 285 unq 7 iso 0 dist 7.0448 12.3027 6.46935 9.51541 8.3005 8.69747 numMergedOcc 0
40 mol 294 unq 0 iso 0 dist 9.41526 4.33467 7.14502 9.69668 9.49562 8.15681 numMergedOcc 0
