0 mol 11 unq 0 iso 0 dist 9.74528 11.5768 4.79838 20.1514 10.7048 9.53002 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 7.53194 6.79455 9.28732 8.52254 3.53534 7.41857 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.43913 4.16088 7.03832 5.36645 3.63758 8.09058 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.26877 4.16088 7.16443 5.36645 6.88863 8.09058 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.99434 8.93697 7.16443 14.0677 6.88863 8.09058 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.02693 5.14919 7.78587 10.392 4.73407 8.70133 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 7.02693 5.14919 7.78587 4.24428 3.85805 5.64598 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 7.02693 5.14919 7.78587 6.30194 5.17781 4.65521 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 8.58248 15.124 7.78587 7.01889 4.73407 8.70133 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 8.58248 15.124 7.78587 12.424 3.85805 5.64598 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 8.58248 15.124 7.78587 10.997 5.17781 4.65521 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 5.91098 13.8036 8.90522 4.83274 3.69293 9.49449 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 4.86523 6.63393 8.90522 7.89214 3.69293 9.49449 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 9.93747 9.89044 9.28354 17.8689 13.3135 8.30646 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 4.2253 5.79235 5.82384 11.8934 8.95695 7.87814 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 6.61645 7.31722 7.03417 10.9081 12.3859 5.81965 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 6.61645 7.31722 7.03417 14.063 13.4866 7.06013 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 6.61645 7.31722 7.03417 10.3582 11.3622 9.70512 numMergedOcc 0
18 mol 95 unq 0 iso 0 dist 7.27275 5.26193 9.51981 12.5472 12.6805 8.67367 numMergedOcc 0
19 mol 114 unq 0 iso 0 dist 7.4113 12.5418 5.96977 11.756 4.97363 6.96442 numMergedOcc 0
20 mol 114 unq 1 iso 0 dist 8.53631 5.01204 5.96977 8.19156 4.97363 6.96442 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.46946 11.695 9.58537 7.7292 6.49075 5.90931 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.62485 13.2905 8.71877 13.8505 10.1977 8.14172 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 8.62485 13.2905 8.71877 8.89538 5.7648 6.77463 numMergedOcc 0
24 mol 256 unq 0 iso 0 dist 6.33954 5.34142 5.85613 9.9381 6.73995 5.24676 numMergedOcc 0
25 mol 256 unq 1 iso 0 dist 6.33954 5.34142 5.85613 7.54586 4.6374 8.09363 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 8.14743 9.3815 8.56867 16.2155 11.147 9.5784 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 8.75943 9.3815 6.29872 16.2155 10.0018 9.5784 numMergedOcc 0
