0 mol 20 unq 0 iso 0 dist 4.90613 6.42002 6.77441 4.14436 6.87419 6.29711 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 4.90613 9.88827 8.88148 4.539 5.87364 13.6926 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 4.90613 6.30355 6.83357 4.539 5.87364 10.4214 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 4.90613 6.02975 4.71011 4.539 5.87364 8.67928 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.32779 9.04898 4.39474 4.89927 8.12171 11.9001 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 7.91009 5.77889 6.17229 8.96904 7.27852 11.5759 numMergedOcc 0
6 mol 81 unq 1 iso 0 dist 7.91009 6.91587 8.36931 8.96904 7.27852 12.8975 numMergedOcc 0
7 mol 81 unq 2 iso 0 dist 4.39121 8.22976 6.17229 4.39576 7.27852 11.5759 numMergedOcc 0
8 mol 81 unq 3 iso 0 dist 4.39121 8.9512 8.36931 4.39576 7.27852 12.8975 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 9.52936 9.01327 11.0079 11.1564 4.86532 14.9586 numMergedOcc 0
10 mol 108 unq 0 iso 0 dist 9.81705 9.33337 10.0665 4.62275 8.50992 7.3542 numMergedOcc 0
11 mol 108 unq 1 iso 0 dist 6.32309 9.33337 6.5597 7.59276 9.88259 10.9142 numMergedOcc 0
12 mol 108 unq 2 iso 0 dist 6.32309 9.33337 6.5597 4.62275 8.00008 7.3542 numMergedOcc 0
13 mol 108 unq 3 iso 0 dist 8.60437 9.33337 3.6703 4.62275 7.79698 7.3542 numMergedOcc 0
14 mol 108 unq 4 iso 0 dist 5.8711 8.07863 4.40009 5.35819 7.18748 10.3914 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.1717 6.98057 12.5558 4.46354 7.57714 10.7925 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 7.37431 6.49095 6.5335 10.2563 9.38111 12.9968 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 5.52744 9.44052 5.81649 5.48326 7.77211 12.7923 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 5.6789 8.47894 6.92142 6.03908 7.5257 13.0661 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 9.67795 5.66536 13.745 7.68725 9.42877 9.24732 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 6.52457 6.16117 3.56045 4.46 8.46644 7.21548 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 8.80432 9.76717 3.63907 9.13835 9.41595 10.4632 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 7.81282 8.26605 5.89071 10.2731 7.29686 11.9085 numMergedOcc 0
23 mol 278 unq 1 iso 0 dist 7.81282 8.26605 5.89071 6.60208 9.62872 12.7865 numMergedOcc 0
24 mol 278 unq 2 iso 0 dist 7.81282 8.28849 8.63968 10.2731 7.29686 15.0473 numMergedOcc 0
25 mol 278 unq 3 iso 0 dist 7.81282 8.28849 8.63968 6.60208 9.62872 9.45875 numMergedOcc 0
26 mol 278 unq 4 iso 0 dist 6.08019 9.56273 5.89071 7.65292 7.29686 11.9085 numMergedOcc 0
27 mol 278 unq 5 iso 0 dist 6.08019 9.56273 5.89071 4.19643 9.62872 12.7865 numMergedOcc 0
28 mol 278 unq 6 iso 0 dist 6.08019 8.93294 8.63968 7.65292 7.29686 15.0473 numMergedOcc 0
29 mol 278 unq 7 iso 0 dist 6.08019 8.93294 8.63968 4.19643 9.62872 9.45875 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 5.06731 8.0077 6.80232 9.70716 8.58448 14.4259 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 5.06731 8.0077 6.80232 9.70716 8.58448 14.4259 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 5.06731 8.0077 6.80232 9.70716 8.58448 14.4259 numMergedOcc 0
