0 mol 26 unq 0 iso 0 dist 9.15677 5.03531 6.33493 12.1626 9.7522 10.3176 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 7.15141 9.06004 8.39877 11.0298 7.14232 14.0615 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 7.15141 9.34266 5.85188 11.0298 7.14232 10.359 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 8.2513 9.942 16.0486 10.0786 9.77553 14.6118 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 8.2513 5.92771 9.26597 10.0786 9.77553 14.8453 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 7.51978 7.18148 13.8618 8.88887 5.97635 12.3124 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 7.67586 8.90147 9.60641 5.74095 6.65344 8.7777 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 7.28711 8.47126 9.80027 12.1555 9.3931 17.7208 numMergedOcc 0
8 mol 123 unq 0 iso 0 dist 8.87148 9.85144 6.21159 4.81545 8.67193 12.2647 numMergedOcc 0
9 mol 123 unq 1 iso 0 dist 9.26057 6.60464 6.21159 9.59867 8.67193 12.2647 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.72463 7.99127 6.75249 10.0479 8.30654 10.5624 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 4.93984 7.33483 6.13061 6.01114 8.43038 11.31 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 4.93984 7.33483 6.13061 9.04662 9.87966 13.706 numMergedOcc 0
13 mol 167 unq 2 iso 0 dist 4.93984 7.33483 6.13061 6.87303 8.14096 12.1152 numMergedOcc 0
14 mol 176 unq 0 iso 0 dist 4.96326 7.02812 5.02061 12.148 7.30954 8.51811 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 9.05666 8.42665 12.1342 11.524 9.90531 18.9891 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 5.52981 8.5458 9.81852 7.26513 8.5119 15.1099 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 6.42827 6.32658 10.3504 7.26569 6.37672 12.1989 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 6.42827 6.32658 10.3504 6.09915 8.94023 11.121 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 5.76077 8.86676 9.46115 5.03278 5.89502 11.0717 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 5.76077 8.86676 9.46115 4.58695 7.15815 13.0422 numMergedOcc 0
21 mol 265 unq 0 iso 0 dist 4.96568 9.19805 5.94366 9.37522 9.772 9.81436 numMergedOcc 0
22 mol 265 unq 1 iso 0 dist 4.96568 7.71301 7.71667 9.37522 9.772 5.8898 numMergedOcc 0
