@<TRIPOS>MOLECULE dioxin 22 24 0 0 0 SMALL GASTEIGER Energy = 0 @<TRIPOS>ATOM 1 C1 -1.8614 3.1206 0.2896 C.ar 1 <1> 0.0630 2 C2 -2.8297 2.2803 -0.2820 C.ar 1 <1> 0.0630 3 C3 -2.5291 0.9443 -0.5726 C.ar 1 <1> 0.0041 4 C4 -1.2509 0.4622 -0.2845 C.ar 1 <1> 0.1721 5 C5 -0.2823 1.3027 0.2875 C.ar 1 <1> 0.1721 6 C6 -0.5805 2.6354 0.5781 C.ar 1 <1> 0.0041 7 O1 1.0070 0.8738 0.5955 O.2 1 <1> -0.4486 8 C7 1.2508 -0.4623 0.2850 C.ar 1 <1> 0.1721 9 C8 0.2824 -1.3026 -0.2874 C.ar 1 <1> 0.1721 10 O2 -1.0073 -0.8741 -0.5944 O.2 1 <1> -0.4486 11 C9 0.5806 -2.6351 -0.5786 C.ar 1 <1> 0.0041 12 C10 1.8616 -3.1204 -0.2904 C.ar 1 <1> 0.0630 13 C11 2.8299 -2.2802 0.2818 C.ar 1 <1> 0.0630 14 C12 2.5290 -0.9445 0.5730 C.ar 1 <1> 0.0041 15 Cl1 -2.2109 4.7396 0.6469 Cl 1 <1> -0.0819 16 Cl2 -4.3845 2.8531 -0.6361 Cl 1 <1> -0.0819 17 Cl3 2.2111 -4.7393 -0.6480 Cl 1 <1> -0.0819 18 Cl4 4.3844 -2.8534 0.6362 Cl 1 <1> -0.0819 19 H1 -3.2789 0.2742 -1.0208 H 1 <1> 0.0671 20 H2 0.1885 3.2833 1.0267 H 1 <1> 0.0671 21 H3 -0.1883 -3.2829 -1.0274 H 1 <1> 0.0671 22 H4 3.2787 -0.2745 1.0219 H 1 <1> 0.0671 @<TRIPOS>BOND 1 1 2 2 2 1 6 1 3 1 15 1 4 2 3 1 5 2 16 1 6 3 4 2 7 3 19 1 8 4 5 1 9 4 10 1 10 5 6 2 11 5 7 1 12 6 20 1 13 7 8 1 14 8 9 2 15 8 14 1 16 9 10 1 17 9 11 1 18 11 12 2 19 11 21 1 20 12 13 1 21 12 17 1 22 13 14 2 23 13 18 1 24 14 22 1