@MOLECULE safranal 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5003 -0.9741 -0.3762 O.2 1 UNL1111111111 -0.4392 2 C -0.3037 1.0658 0.0363 C.3 1 UNL1111111111 0.1400 3 C 1.0546 1.6845 0.4597 C.3 1 UNL1111111111 -0.3146 4 C -0.2647 -0.4378 0.1697 C.2 1 UNL1111111111 -0.2250 5 C -0.5954 1.3976 -1.4365 C.3 1 UNL1111111111 -0.4640 6 C -1.4019 1.6697 0.9279 C.3 1 UNL1111111111 -0.4765 7 C 0.8810 -1.1343 0.0428 C.2 1 UNL1111111111 0.0740 8 C 2.2249 0.8904 -0.0151 C.2 1 UNL1111111111 -0.0955 9 C 2.1403 -0.4360 -0.1959 C.2 1 UNL1111111111 -0.2169 10 C -1.5632 -1.1113 0.3734 C.2 1 UNL1111111111 0.3564 11 C 0.9482 -2.6227 0.0943 C.3 1 UNL1111111111 -0.4625 12 H 1.1031 1.7523 1.5693 H 1 UNL1111111111 0.1588 13 H 1.1077 2.7292 0.0964 H 1 UNL1111111111 0.1527 14 H -1.5134 0.8939 -1.7733 H 1 UNL1111111111 0.1699 15 H -0.7283 2.4716 -1.5908 H 1 UNL1111111111 0.1441 16 H 0.2188 1.0581 -2.0860 H 1 UNL1111111111 0.1499 17 H -1.3016 1.3469 1.9683 H 1 UNL1111111111 0.1441 18 H -1.3681 2.7641 0.9120 H 1 UNL1111111111 0.1496 19 H -2.4019 1.3776 0.5794 H 1 UNL1111111111 0.1653 20 H 3.1461 1.4445 -0.1751 H 1 UNL1111111111 0.1421 21 H 2.9860 -1.0336 -0.5246 H 1 UNL1111111111 0.1545 22 H -1.6573 -1.7566 1.2603 H 1 UNL1111111111 0.1071 23 H 0.1317 -3.0731 0.6738 H 1 UNL1111111111 0.1547 24 H 1.8880 -2.9765 0.5428 H 1 UNL1111111111 0.1617 25 H 0.8950 -3.0468 -0.9219 H 1 UNL1111111111 0.1697 @BOND 1 1 10 2 2 2 3 1 3 2 4 1 4 2 5 1 5 2 6 1 6 3 8 1 7 3 12 1 8 3 13 1 9 4 7 2 10 4 10 1 11 5 14 1 12 5 15 1 13 5 16 1 14 6 17 1 15 6 18 1 16 6 19 1 17 7 9 1 18 7 11 1 19 8 9 2 20 8 20 1 21 9 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1