0 mol 43 unq 0 iso 0 dist 9.17086 4.9903 6.6263 10.615 8.13395 6.75943 13.0289 10.8828 8.34145 5.07458 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.16299 6.52486 5.5087 10.8051 8.07446 5.61588 12.2244 6.41115 8.46627 5.9144 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.16299 10.9731 6.08682 10.8051 8.07446 7.83244 12.2244 6.41115 9.22208 5.9144 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.27015 13.0059 5.5087 13.7608 8.07446 5.61588 9.05302 6.41115 8.46627 5.9144 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.27015 14.1533 6.08682 13.7608 8.07446 7.83244 9.05302 6.41115 9.22208 5.9144 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.41567 6.65453 6.72869 5.56964 10.2879 9.85905 13.3552 5.31985 9.59729 15.4159 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.56964 6.65453 9.85905 8.41567 10.2879 6.72869 13.3552 15.4159 9.59729 5.31985 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.62246 7.15288 6.72869 12.885 10.2879 9.85905 8.8326 5.31985 9.59729 15.4159 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.97043 7.34308 6.39384 12.9647 7.69052 9.42082 13.829 6.95773 7.65564 6.01673 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.79004 5.37122 8.26547 8.43069 5.61668 9.05342 4.79003 6.9945 7.48208 4.19723 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.43069 5.37122 9.05342 9.79004 5.61668 8.26547 4.79003 4.19723 7.48208 6.9945 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.27598 12.487 7.93372 16.7211 10.7144 9.66543 15.3301 10.8635 8.62504 4.46337 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 7.27598 12.487 7.93372 12.3933 5.49782 7.21868 15.3301 10.8635 8.62504 7.41373 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.18245 5.68795 5.05973 13.2054 11.5866 9.01624 15.3442 10.0773 9.92831 5.42158 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 9.60159 5.19262 5.23634 12.0857 5.22356 6.91318 12.088 4.664 8.85955 8.49509 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 9.60159 5.19262 5.23634 12.0857 5.22356 6.91318 10.4038 4.1511 6.09335 4.69247 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 7.64276 4.48114 9.12776 13.6759 15.7907 9.72188 5.41453 5.71717 4.66186 10.4706 numMergedOcc 0
17 mol 264 unq 0 iso 0 dist 6.85672 4.97003 5.90058 10.4883 7.07277 5.90924 14.6229 12.6872 9.78237 5.71153 numMergedOcc 0
18 mol 264 unq 1 iso 0 dist 6.85672 4.97003 5.90058 10.4883 7.07277 5.90924 13.9572 9.63145 9.70101 5.70542 numMergedOcc 0
19 mol 264 unq 2 iso 0 dist 6.85672 4.97003 5.90058 10.4883 7.07277 5.90924 14.8031 12.9337 9.95798 6.87635 numMergedOcc 0
20 mol 264 unq 3 iso 0 dist 6.85672 4.97003 5.90058 13.9604 14.3597 9.58916 14.6229 12.6872 9.78237 6.56539 numMergedOcc 0
21 mol 264 unq 4 iso 0 dist 6.85672 4.97003 5.90058 13.9604 14.3597 9.58916 13.9572 9.63145 9.70101 10.1301 numMergedOcc 0
22 mol 264 unq 5 iso 0 dist 6.85672 4.97003 5.90058 13.9604 14.3597 9.58916 14.8031 12.9337 9.95798 4.76241 numMergedOcc 0
23 mol 264 unq 6 iso 0 dist 6.8902 9.58347 8.29262 9.5903 4.92077 9.19754 11.1879 13.2035 9.78237 11.4167 numMergedOcc 0
