@MOLECULE ecgonine 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7670 -2.0809 -0.0913 O.3 1 UNL1111111111 -0.4342 2 O 1.8078 2.0117 -0.5235 O.3 1 UNL1111111111 -0.4348 3 O 2.4349 0.3601 0.8263 O.2 1 UNL1111111111 -0.2996 4 N -1.0170 0.7947 0.6422 N.3 1 UNL1111111111 -0.0525 5 C -0.6592 0.7293 -0.8018 C.3 1 UNL1111111111 -0.1385 6 C -1.5360 -0.5800 0.8983 C.3 1 UNL1111111111 0.0265 7 C 0.6942 -0.0324 -0.8551 C.3 1 UNL1111111111 -0.3121 8 C -1.7807 -0.0993 -1.4930 C.3 1 UNL1111111111 -0.4443 9 C -2.3732 -0.9636 -0.3600 C.3 1 UNL1111111111 -0.5048 10 C -0.2868 -1.4751 1.0258 C.3 1 UNL1111111111 -0.7925 11 C 0.5213 -1.4715 -0.2840 C.3 1 UNL1111111111 -0.0958 12 C -1.9885 1.8562 0.9520 C.3 1 UNL1111111111 -0.8940 13 C 1.7135 0.7363 -0.0650 C.2 1 UNL1111111111 0.2585 14 H -0.5483 1.7427 -1.2425 H 1 UNL1111111111 0.2456 15 H -2.1385 -0.6161 1.8279 H 1 UNL1111111111 0.2168 16 H 1.0447 -0.1020 -1.9143 H 1 UNL1111111111 0.2718 17 H -1.3954 -0.7070 -2.3231 H 1 UNL1111111111 0.1961 18 H -2.5408 0.5670 -1.9282 H 1 UNL1111111111 0.2019 19 H -3.4386 -0.7434 -0.2020 H 1 UNL1111111111 0.2076 20 H -2.3085 -2.0385 -0.5777 H 1 UNL1111111111 0.2514 21 H 0.3509 -1.0988 1.8537 H 1 UNL1111111111 0.3165 22 H -0.5654 -2.5065 1.2976 H 1 UNL1111111111 0.3181 23 H 0.0531 -2.1293 -1.0529 H 1 UNL1111111111 0.3058 24 H -2.1944 1.8415 2.0360 H 1 UNL1111111111 0.2959 25 H -2.9436 1.7778 0.4123 H 1 UNL1111111111 0.2929 26 H -1.5338 2.8350 0.7214 H 1 UNL1111111111 0.2747 27 H 2.3213 -1.5578 0.5362 H 1 UNL1111111111 0.3835 28 H 2.4463 2.5666 -0.0106 H 1 UNL1111111111 0.3393 @BOND 1 1 11 1 2 1 27 1 3 2 13 1 4 2 28 1 5 3 13 2 6 4 5 1 7 4 6 1 8 4 12 1 9 5 7 1 10 5 8 1 11 5 14 1 12 6 9 1 13 6 10 1 14 6 15 1 15 7 11 1 16 7 13 1 17 7 16 1 18 8 9 1 19 8 17 1 20 8 18 1 21 9 19 1 22 9 20 1 23 10 11 1 24 10 21 1 25 10 22 1 26 11 23 1 27 12 24 1 28 12 25 1 29 12 26 1