0 mol 4 unq 0 iso 0 dist 8.19615 8.36972 9.12428 15.0477 9.34175 9.63758 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 6.91948 8.87538 5.24341 15.9575 13.1565 8.01055 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.91948 7.86918 7.67661 15.9575 13.1565 8.61976 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 9.41745 5.70264 9.75368 8.59097 6.98179 6.6051 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 9.41745 5.70264 9.75368 5.44478 6.9065 8.15864 numMergedOcc 0
5 mol 22 unq 0 iso 0 dist 8.28901 6.86436 9.94434 7.74523 5.70422 9.32616 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.93949 6.74022 9.95118 8.0009 4.76091 8.52643 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 8.93949 6.74022 9.95118 8.91298 6.13923 5.41357 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 8.76613 6.87026 9.32858 13.2906 10.7092 7.79078 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 8.14071 14.3839 8.59695 7.48833 5.99695 9.52061 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 8.14071 11.9431 6.42706 10.657 6.29782 9.61101 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 4.96326 5.80843 8.02366 11.1149 11.6341 7.98755 numMergedOcc 0
12 mol 176 unq 1 iso 0 dist 9.09976 11.7758 8.02366 18.233 11.6341 7.98755 numMergedOcc 0
13 mol 176 unq 2 iso 0 dist 9.73567 15.4295 8.02366 21.1008 11.6341 7.98755 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 7.68247 6.31943 6.82787 5.26804 4.98423 5.58167 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.92766 13.46 9.44947 22.629 18.5654 9.52029 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.96424 16.4359 9.9693 11.0559 9.18635 8.57174 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 7.96424 16.4359 9.9693 20.3809 14.1934 6.80214 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.49673 10.7025 6.43546 14.5052 6.03322 8.46734 numMergedOcc 0
19 mol 293 unq 0 iso 0 dist 8.90008 6.26633 5.44043 10.3468 5.66805 4.72125 numMergedOcc 0
20 mol 293 unq 1 iso 0 dist 8.90008 6.26633 5.44043 6.02106 8.15525 7.41524 numMergedOcc 0
21 mol 293 unq 2 iso 0 dist 8.90008 6.26633 5.44043 8.27274 9.35524 6.42608 numMergedOcc 0
22 mol 293 unq 3 iso 0 dist 8.90008 14.0263 9.25564 16.8981 9.51167 6.52889 numMergedOcc 0
