0 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 14.4162 9.58012 8.56274 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.28416 8.95154 6.37119 10.2179 5.63315 9.17482 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.93832 7.39848 6.59887 7.05402 7.31982 9.82307 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 7.33422 8.04242 9.09756 5.08358 10.6458 5.72961 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 7.71107 9.06601 12.2445 6.39411 9.84514 4.72339 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 7.71107 5.98809 3.75797 6.39411 9.84514 7.21505 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 10.0814 12.0448 9.34689 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 6.98934 7.60162 9.53672 12.8318 17.3596 8.34342 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.98934 7.60162 9.53672 15.2217 15.8215 7.62197 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 6.98934 7.60162 9.53672 4.60974 11.3186 9.31621 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 7.99623 7.60162 8.90156 12.8318 16.041 8.34342 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 7.99623 7.60162 8.90156 15.2217 14.6129 7.62197 numMergedOcc 0
12 mol 119 unq 5 iso 0 dist 7.99623 7.60162 8.90156 4.60974 11.0297 9.31621 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.41611 8.99891 7.87644 10.8441 5.73236 5.66207 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 7.63338 8.99891 13.5899 10.8441 13.3045 5.66207 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 9.03707 8.99891 9.13604 10.8441 13.3584 5.66207 numMergedOcc 0
16 mol 143 unq 3 iso 0 dist 7.25673 8.99891 12.6218 10.8441 15.0441 5.66207 numMergedOcc 0
17 mol 152 unq 0 iso 0 dist 9.77552 7.55934 6.69469 7.2238 6.39031 9.48674 numMergedOcc 0
18 mol 152 unq 1 iso 0 dist 8.35555 6.79114 4.78989 7.78913 8.60521 5.42715 numMergedOcc 0
19 mol 152 unq 2 iso 0 dist 8.35555 6.79114 4.78989 5.70788 6.39031 7.34557 numMergedOcc 0
20 mol 152 unq 3 iso 0 dist 8.35555 7.59457 9.43672 7.78913 8.60521 9.70575 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 6.20182 7.93088 5.21512 6.69868 8.53374 5.97934 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 5.4969 9.19156 6.41193 4.24624 7.32419 7.6741 numMergedOcc 0
23 mol 175 unq 1 iso 0 dist 6.4318 9.19156 10.568 4.24624 8.31961 7.6741 numMergedOcc 0
24 mol 175 unq 2 iso 0 dist 7.35824 9.19156 14.7729 4.24624 11.3531 7.6741 numMergedOcc 0
25 mol 175 unq 3 iso 0 dist 9.17364 9.19156 18.0583 4.24624 11.7939 7.6741 numMergedOcc 0
26 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 6.66155 5.52678 5.13892 numMergedOcc 0
27 mol 194 unq 1 iso 0 dist 6.26839 9.52922 7.82899 5.4499 9.81666 8.2232 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 9.66465 9.60694 13.8016 5.70882 14.8642 9.86765 numMergedOcc 0
29 mol 253 unq 1 iso 0 dist 9.66465 9.27311 16.4545 5.70882 14.8642 6.3738 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 7.52109 8.12739 8.96388 8.33977 12.6547 7.66409 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 7.44083 8.12739 12.596 8.33977 15.1113 7.66409 numMergedOcc 0
