@MOLECULE pinoline 29 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8528 -0.5502 0.0053 O.3 1 UNL1111111111 -0.0135 2 N 1.0710 1.8639 -0.0320 N.ar 1 UNL1111111111 -0.8168 3 N 3.9064 -0.5600 0.3720 N.3 1 UNL1111111111 -0.5935 4 C 1.1446 -0.4166 0.0019 C.ar 1 UNL1111111111 0.0373 5 C 1.9023 0.7450 -0.0093 C.ar 1 UNL1111111111 0.3328 6 C 1.7434 -1.7620 0.0565 C.3 1 UNL1111111111 -0.4823 7 C -0.2282 -0.0258 -0.0022 C.ar 1 UNL1111111111 -0.2284 8 C 3.3880 0.7772 -0.0264 C.3 1 UNL1111111111 -0.3785 9 C 3.2352 -1.6758 -0.3435 C.3 1 UNL1111111111 -0.2524 10 C -0.2550 1.4073 -0.0183 C.ar 1 UNL1111111111 0.3414 11 C -1.4249 -0.7486 0.0074 C.ar 1 UNL1111111111 -0.2260 12 C -1.4575 2.1288 -0.0256 C.ar 1 UNL1111111111 -0.3513 13 C -2.5969 -0.0159 0.0006 C.ar 1 UNL1111111111 0.0317 14 C -2.6312 1.4062 -0.0160 C.ar 1 UNL1111111111 -0.2547 15 C -3.9355 -1.9673 0.0498 C.3 1 UNL1111111111 -0.7515 16 H 1.6533 -2.1639 1.0903 H 1 UNL1111111111 0.2644 17 H 1.2081 -2.4688 -0.6084 H 1 UNL1111111111 0.2162 18 H 3.7507 1.0951 -1.0317 H 1 UNL1111111111 0.1882 19 H 3.7759 1.5104 0.7207 H 1 UNL1111111111 0.2293 20 H 3.7482 -2.6162 -0.0479 H 1 UNL1111111111 0.2073 21 H 3.3168 -1.5781 -1.4461 H 1 UNL1111111111 0.1708 22 H 1.3532 2.8124 0.0188 H 1 UNL1111111111 0.4923 23 H 4.9121 -0.5982 0.2178 H 1 UNL1111111111 0.3612 24 H -1.3987 -1.8300 0.0195 H 1 UNL1111111111 0.2316 25 H -1.4562 3.2173 -0.0310 H 1 UNL1111111111 0.2234 26 H -3.5980 1.9033 -0.0170 H 1 UNL1111111111 0.2276 27 H -5.0193 -2.1380 0.0552 H 1 UNL1111111111 0.2869 28 H -3.4814 -2.3595 0.9663 H 1 UNL1111111111 0.2652 29 H -3.4797 -2.4139 -0.8398 H 1 UNL1111111111 0.2413 @BOND 1 1 13 1 2 1 15 1 3 2 5 ar 4 2 10 ar 5 2 22 1 6 3 8 1 7 3 9 1 8 3 23 1 9 4 5 ar 10 4 6 1 11 4 7 ar 12 5 8 1 13 6 9 1 14 6 16 1 15 6 17 1 16 7 10 ar 17 7 11 ar 18 8 18 1 19 8 19 1 20 9 20 1 21 9 21 1 22 10 12 ar 23 11 13 ar 24 11 24 1 25 12 14 ar 26 12 25 1 27 13 14 ar 28 14 26 1 29 15 27 1 30 15 28 1 31 15 29 1