0 mol 33 unq 0 iso 0 dist 5.65377 7.15141 6.08005 9.06004 3.82411 8.39877 11.0298 11.1496 7.14232 14.0615 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 5.65377 7.15141 6.08005 9.34266 4.28598 5.85188 11.0298 11.1496 7.14232 10.359 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.47185 8.2513 5.80658 9.942 15.3318 16.0486 10.0786 13.3447 9.77553 14.6118 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 6.47185 8.2513 5.80658 5.92771 3.8412 9.26597 10.0786 13.3447 9.77553 14.8453 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 7.18148 10.3901 13.8618 8.88887 11.1658 5.97635 12.3124 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.23907 7.28711 5.27581 8.47126 9.46631 9.80027 12.1555 9.89813 9.3931 17.7208 numMergedOcc 0
6 mol 167 unq 0 iso 0 dist 7.62006 4.93984 7.01116 7.33483 3.85621 6.13061 6.87303 13.7816 8.14096 12.1152 numMergedOcc 0
7 mol 167 unq 1 iso 0 dist 7.62006 4.93984 7.01116 7.33483 3.85621 6.13061 6.01114 9.38623 8.43038 11.31 numMergedOcc 0
8 mol 167 unq 2 iso 0 dist 7.62006 4.93984 7.01116 7.33483 3.85621 6.13061 9.04662 11.5246 9.87966 13.706 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 7.02812 4.84545 5.02061 12.148 12.9203 7.30954 8.51811 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 8.42665 9.80412 12.1342 11.524 13.6095 9.90531 18.9891 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 8.5458 9.83826 9.81852 7.26513 7.38022 8.5119 15.1099 numMergedOcc 0
12 mol 249 unq 0 iso 0 dist 8.84212 6.42827 12.6924 6.32658 4.76162 10.3504 7.26569 15.7449 6.37672 12.1989 numMergedOcc 0
13 mol 249 unq 1 iso 0 dist 8.84212 6.42827 12.6924 6.32658 4.76162 10.3504 6.09915 14.5161 8.94023 11.121 numMergedOcc 0
14 mol 249 unq 2 iso 0 dist 7.10933 6.42827 8.71871 6.32658 3.89698 10.3504 7.26569 10.7935 6.37672 12.1989 numMergedOcc 0
15 mol 249 unq 3 iso 0 dist 7.10933 6.42827 8.71871 6.32658 3.89698 10.3504 6.09915 11.0038 8.94023 11.121 numMergedOcc 0
16 mol 265 unq 0 iso 0 dist 5.90175 4.96568 4.75685 9.19805 3.8221 5.94366 9.37522 8.09021 9.772 9.81436 numMergedOcc 0
17 mol 265 unq 1 iso 0 dist 5.90175 4.96568 4.75685 7.71301 3.5393 7.71667 9.37522 8.09021 9.772 5.8898 numMergedOcc 0
