@MOLECULE scorpinone 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.1100 -2.4409 -0.4205 O.3 1 UNL1111111111 -0.3388 2 O 4.0596 1.9198 0.0073 O.3 1 UNL1111111111 -0.2964 3 O -0.7677 2.7726 0.2150 O.2 1 UNL1111111111 -0.3853 4 O -0.4583 -2.5622 0.0285 O.2 1 UNL1111111111 -0.4275 5 N -4.1937 -0.8651 -0.1534 N.ar 1 UNL1111111111 -0.4004 6 C 0.7130 -0.5164 -0.0834 C.ar 1 UNL1111111111 -0.2780 7 C 0.6319 0.8855 0.0058 C.ar 1 UNL1111111111 -0.0155 8 C -1.9081 0.7258 0.0166 C.ar 1 UNL1111111111 -0.0282 9 C -1.7991 -0.6618 -0.0938 C.ar 1 UNL1111111111 -0.2394 10 C -0.6872 1.5743 0.0908 C.2 1 UNL1111111111 0.4355 11 C -0.4934 -1.3567 -0.0587 C.2 1 UNL1111111111 0.4957 12 C 1.9804 -1.0993 -0.1879 C.ar 1 UNL1111111111 0.3454 13 C 1.7688 1.6698 0.0233 C.ar 1 UNL1111111111 -0.2277 14 C -3.1666 1.3100 0.0624 C.ar 1 UNL1111111111 -0.2328 15 C 3.0341 1.0432 -0.0524 C.ar 1 UNL1111111111 0.2947 16 C 3.1542 -0.3348 -0.1676 C.ar 1 UNL1111111111 -0.3799 17 C -2.9717 -1.4239 -0.1991 C.ar 1 UNL1111111111 0.1216 18 C -4.2986 0.4722 -0.0075 C.ar 1 UNL1111111111 0.2497 19 C -5.6783 1.0256 0.0878 C.3 1 UNL1111111111 -0.4618 20 C 2.2036 -3.2059 0.7818 C.3 1 UNL1111111111 -0.1759 21 C 5.3824 1.3990 -0.0599 C.3 1 UNL1111111111 -0.2034 22 H 1.7056 2.7589 0.0953 H 1 UNL1111111111 0.2004 23 H -3.2771 2.3903 0.1559 H 1 UNL1111111111 0.1891 24 H 4.1140 -0.8325 -0.2517 H 1 UNL1111111111 0.1838 25 H -2.9383 -2.5190 -0.3157 H 1 UNL1111111111 0.1955 26 H -5.8383 1.5418 1.0466 H 1 UNL1111111111 0.1694 27 H -5.8863 1.7385 -0.7236 H 1 UNL1111111111 0.1697 28 H -6.4442 0.2318 0.0211 H 1 UNL1111111111 0.1836 29 H 3.1703 -3.0221 1.2595 H 1 UNL1111111111 0.1175 30 H 2.1300 -4.2362 0.4102 H 1 UNL1111111111 0.1553 31 H 1.3690 -2.9997 1.4615 H 1 UNL1111111111 0.1478 32 H 5.5597 0.8997 -1.0177 H 1 UNL1111111111 0.1407 33 H 5.5917 0.7334 0.7831 H 1 UNL1111111111 0.1371 34 H 5.9864 2.3161 0.0161 H 1 UNL1111111111 0.1585 @BOND 1 1 12 1 2 1 20 1 3 2 15 1 4 2 21 1 5 3 10 2 6 4 11 2 7 5 17 ar 8 5 18 ar 9 6 7 ar 10 6 11 1 11 6 12 ar 12 7 10 1 13 7 13 ar 14 8 9 ar 15 8 10 1 16 8 14 ar 17 9 11 1 18 9 17 ar 19 12 16 ar 20 13 15 ar 21 13 22 1 22 14 18 ar 23 14 23 1 24 15 16 ar 25 16 24 1 26 17 25 1 27 18 19 1 28 19 26 1 29 19 27 1 30 19 28 1 31 20 29 1 32 20 30 1 33 20 31 1 34 21 32 1 35 21 33 1 36 21 34 1