@MOLECULE safrole 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0082 1.5684 0.1328 O.3 1 UNL1111111111 -0.3406 2 O 2.9180 -0.5517 -0.3582 O.3 1 UNL1111111111 -0.3423 3 C -1.1085 -0.3689 0.4317 C.ar 1 UNL1111111111 0.0231 4 C 1.0243 0.6126 0.1751 C.ar 1 UNL1111111111 0.1409 5 C 1.5690 -0.6594 -0.1200 C.ar 1 UNL1111111111 0.1130 6 C -0.3070 0.7926 0.4549 C.ar 1 UNL1111111111 -0.2143 7 C -2.5750 -0.2332 0.7186 C.3 1 UNL1111111111 -0.2974 8 C -0.5704 -1.6192 0.1385 C.ar 1 UNL1111111111 -0.1862 9 C 0.7968 -1.7939 -0.1474 C.ar 1 UNL1111111111 -0.1734 10 C 3.2187 0.8530 -0.2044 C.3 1 UNL1111111111 0.1580 11 C -3.3210 0.0802 -0.5429 C.2 1 UNL1111111111 -0.0916 12 C -4.3226 0.9572 -0.5940 C.2 1 UNL1111111111 -0.3441 13 H -0.7272 1.7681 0.6749 H 1 UNL1111111111 0.1785 14 H -2.9824 -1.1700 1.1615 H 1 UNL1111111111 0.1622 15 H -2.7498 0.5422 1.4955 H 1 UNL1111111111 0.1606 16 H -1.2178 -2.4947 0.1248 H 1 UNL1111111111 0.1607 17 H 1.2084 -2.7715 -0.3745 H 1 UNL1111111111 0.1729 18 H 3.9148 0.9570 0.6393 H 1 UNL1111111111 0.1411 19 H 3.5701 1.2294 -1.1750 H 1 UNL1111111111 0.1415 20 H -2.9849 -0.4697 -1.4222 H 1 UNL1111111111 0.1471 21 H -4.8697 1.1805 -1.4962 H 1 UNL1111111111 0.1454 22 H -4.6754 1.5223 0.2535 H 1 UNL1111111111 0.1448 @BOND 1 1 4 1 2 1 10 1 3 2 5 1 4 2 10 1 5 3 6 ar 6 3 7 1 7 3 8 ar 8 4 5 ar 9 4 6 ar 10 5 9 ar 11 6 13 1 12 7 11 1 13 7 14 1 14 7 15 1 15 8 9 ar 16 8 16 1 17 9 17 1 18 10 18 1 19 10 19 1 20 11 12 2 21 11 20 1 22 12 21 1 23 12 22 1