0 mol 58 unq 0 iso 0 dist 7.84983 11.5882 6.62496 5.04521 9.22598 9.87158 16.5678 10.2241 9.58673 15.7229 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.56737 11.5882 6.35756 5.04521 8.96727 9.87158 16.5678 7.05413 9.58673 15.7229 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 9.56737 11.5882 6.35756 10.2341 8.01308 5.86526 16.5678 7.05413 9.58673 12.8612 numMergedOcc 0
3 mol 117 unq 0 iso 0 dist 9.85576 10.4589 7.90328 12.4378 8.84018 7.20875 12.907 4.91401 6.62561 9.94053 numMergedOcc 0
4 mol 117 unq 1 iso 0 dist 9.85576 14.2649 7.83136 12.4378 8.84018 3.77029 12.907 4.91401 7.63616 9.94053 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 8.22696 8.95212 4.39676 13.9827 9.35964 9.80862 9.56225 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 6.49205 5.19198 6.18601 8.22696 8.95212 4.39676 12.9568 10.3457 8.43904 6.13374 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 16.57 7.64052 9.68677 19.0836 10.6679 9.63176 9.08536 numMergedOcc 0
8 mol 127 unq 0 iso 0 dist 8.40046 9.75166 9.30299 12.1959 6.08673 12.8087 8.03243 14.085 8.59981 17.7403 numMergedOcc 0
9 mol 127 unq 1 iso 0 dist 8.40046 9.75166 9.30299 12.1959 6.08673 12.8087 14.4347 13.1312 7.34519 17.9198 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 9.0696 6.59889 5.39112 14.5136 5.99333 9.13561 10.5081 numMergedOcc 0
11 mol 152 unq 1 iso 0 dist 8.89982 13.2491 8.56324 9.83062 8.9192 4.84714 14.5136 5.99333 9.13561 12.0501 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 7.86625 5.40949 9.31746 4.82437 9.56028 8.82964 9.23118 11.1088 6.73313 13.9393 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 8.49704 10.644 8.85478 4.112 7.46481 11.1534 6.35728 6.67959 7.46831 8.70987 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.7347 4.28891 7.54212 15.1289 6.74196 12.8595 5.04916 7.61682 7.18956 14.2305 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 8.7347 4.28891 7.54212 13.6078 8.36842 12.5866 5.04916 7.61682 7.18956 14.562 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 8.7347 4.28891 7.54212 13.6261 9.75472 11.9567 5.04916 7.61682 7.18956 15.6152 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.75313 6.46679 6.61986 3.56689 8.08349 5.13732 9.04427 10.7113 8.19953 5.73591 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.08709 7.85135 6.61986 11.4272 8.08349 5.13732 15.1149 10.7113 8.19953 5.73591 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 9.79616 5.63485 6.57273 12.65 8.79428 7.05804 8.60781 7.12232 6.87664 10.8888 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 9.29703 4.8786 5.78342 9.56183 6.8692 7.05804 11.0076 5.3621 6.87664 10.8888 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 7.06301 5.85442 10.067 9.27954 5.79468 7.48005 6.23661 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 7.93997 14.8465 7.46176 7.80863 6.95511 11.6988 9.27954 5.79468 7.48005 9.43105 numMergedOcc 0
