@MOLECULE 3-oxododecanoic acid 37 36 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.6964 0.9448 -1.1453 O.2 1 UNL111111111 -0.4850 2 O 6.3592 -0.0907 0.7191 O.3 1 UNL111111111 -0.5573 3 C 5.4902 0.1134 -0.3044 C.2 1 UNL111111111 0.6676 4 C 4.3547 -0.8585 -0.2138 C.3 1 UNL111111111 -0.4741 5 C 3.0803 -0.1539 0.2178 C.2 1 UNL111111111 0.4904 6 C 1.8022 -0.8936 -0.0716 C.3 1 UNL111111111 -0.3811 7 C 0.5942 0.0202 0.1618 C.3 1 UNL111111111 -0.2502 8 C -0.7204 -0.7238 -0.0942 C.3 1 UNL111111111 -0.2773 9 C -1.9105 0.2259 0.0957 C.3 1 UNL111111111 -0.2703 10 C -3.2402 -0.5116 -0.1051 C.3 1 UNL111111111 -0.2745 11 C -4.4179 0.4652 0.0080 C.3 1 UNL111111111 -0.2735 12 C -5.7560 -0.2766 -0.0992 C.3 1 UNL111111111 -0.2731 13 C -6.9303 0.7042 0.0231 C.3 1 UNL111111111 -0.2504 14 C -8.2675 -0.0334 -0.0458 C.3 1 UNL111111111 -0.4399 15 O 3.1141 0.9096 0.7749 O.2 1 UNL111111111 -0.4160 16 H 7.1063 0.5580 0.7398 H 1 UNL111111111 0.3574 17 H 4.2237 -1.3585 -1.1976 H 1 UNL111111111 0.1954 18 H 4.5843 -1.6696 0.5169 H 1 UNL111111111 0.2063 19 H 1.7940 -1.2766 -1.1113 H 1 UNL111111111 0.1657 20 H 1.7358 -1.7898 0.5795 H 1 UNL111111111 0.1690 21 H 0.6159 0.4185 1.1968 H 1 UNL111111111 0.1557 22 H 0.6652 0.9125 -0.4920 H 1 UNL111111111 0.1518 23 H -0.7326 -1.1429 -1.1175 H 1 UNL111111111 0.1354 24 H -0.8124 -1.5868 0.5907 H 1 UNL111111111 0.1351 25 H -1.8789 0.6764 1.1060 H 1 UNL111111111 0.1402 26 H -1.8354 1.0715 -0.6138 H 1 UNL111111111 0.1400 27 H -3.2563 -1.0096 -1.0920 H 1 UNL111111111 0.1354 28 H -3.3428 -1.3190 0.6433 H 1 UNL111111111 0.1358 29 H -4.3658 1.0116 0.9684 H 1 UNL111111111 0.1380 30 H -4.3471 1.2342 -0.7839 H 1 UNL111111111 0.1374 31 H -5.8151 -0.8190 -1.0609 H 1 UNL111111111 0.1360 32 H -5.8263 -1.0490 0.6889 H 1 UNL111111111 0.1364 33 H -6.8574 1.2652 0.9740 H 1 UNL111111111 0.1342 34 H -6.8746 1.4620 -0.7810 H 1 UNL111111111 0.1340 35 H -8.3722 -0.5864 -0.9858 H 1 UNL111111111 0.1422 36 H -8.3702 -0.7536 0.7734 H 1 UNL111111111 0.1422 37 H -9.1096 0.6641 0.0216 H 1 UNL111111111 0.1408 @BOND 1 1 3 2 2 2 3 1 3 2 16 1 4 3 4 1 5 4 5 1 6 4 17 1 7 4 18 1 8 5 6 1 9 5 15 2 10 6 7 1 11 6 19 1 12 6 20 1 13 7 8 1 14 7 21 1 15 7 22 1 16 8 9 1 17 8 23 1 18 8 24 1 19 9 10 1 20 9 25 1 21 9 26 1 22 10 11 1 23 10 27 1 24 10 28 1 25 11 12 1 26 11 29 1 27 11 30 1 28 12 13 1 29 12 31 1 30 12 32 1 31 13 14 1 32 13 33 1 33 13 34 1 34 14 35 1 35 14 36 1 36 14 37 1