@MOLECULE flopropione 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1596 2.4658 -0.0076 O.3 1 UNL1111111111 -0.4702 2 O 0.4144 -2.2455 0.0257 O.3 1 UNL1111111111 -0.4760 3 O 2.1414 1.4243 0.0492 O.2 1 UNL1111111111 -0.5524 4 O -3.9004 -0.3899 -0.0155 O.3 1 UNL1111111111 -0.4578 5 C 0.2339 0.0918 0.0082 C.ar 1 UNL1111111111 -0.5017 6 C 1.6791 0.2880 0.0165 C.2 1 UNL1111111111 0.5576 7 C 2.6119 -0.8879 -0.0217 C.3 1 UNL1111111111 -0.3376 8 C -0.6270 1.2241 -0.0038 C.ar 1 UNL1111111111 0.4949 9 C -0.3988 -1.1666 0.0132 C.ar 1 UNL1111111111 0.4569 10 C -2.0256 1.1060 -0.0144 C.ar 1 UNL1111111111 -0.5111 11 C -1.7794 -1.3326 0.0062 C.ar 1 UNL1111111111 -0.5042 12 C -2.5699 -0.1734 -0.0084 C.ar 1 UNL1111111111 0.4544 13 C 4.0703 -0.4434 -0.0478 C.3 1 UNL1111111111 -0.4185 14 H 2.4237 -1.5409 0.8594 H 1 UNL1111111111 0.1773 15 H 2.3851 -1.5202 -0.9084 H 1 UNL1111111111 0.1764 16 H -2.6354 2.0011 -0.0262 H 1 UNL1111111111 0.1946 17 H -2.2499 -2.3071 0.0113 H 1 UNL1111111111 0.1908 18 H 4.3174 0.1617 0.8348 H 1 UNL1111111111 0.1567 19 H 4.7520 -1.2997 -0.0744 H 1 UNL1111111111 0.1386 20 H 4.2802 0.1861 -0.9229 H 1 UNL1111111111 0.1558 21 H 0.8810 2.4717 0.0164 H 1 UNL1111111111 0.3953 22 H -0.0887 -3.1018 0.0310 H 1 UNL1111111111 0.3423 23 H -4.4238 0.4531 -0.0257 H 1 UNL1111111111 0.3380 @BOND 1 1 8 1 2 1 21 1 3 2 9 1 4 2 22 1 5 3 6 2 6 4 12 1 7 4 23 1 8 5 6 1 9 5 8 ar 10 5 9 ar 11 6 7 1 12 7 13 1 13 7 14 1 14 7 15 1 15 8 10 ar 16 9 11 ar 17 10 12 ar 18 10 16 1 19 11 12 ar 20 11 17 1 21 13 18 1 22 13 19 1 23 13 20 1