@MOLECULE xylopinine 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2648 -2.3559 0.3085 O.3 1 UNL1111111111 -0.3368 2 O 5.9876 -0.1234 -0.2990 O.3 1 UNL1111111111 -0.3403 3 O -4.9307 -2.1098 -0.6874 O.3 1 UNL1111111111 -0.3396 4 O -5.9292 0.3430 0.4510 O.3 1 UNL1111111111 -0.3400 5 N -0.0685 1.9441 0.0408 N.3 1 UNL1111111111 -0.4304 6 C 0.4064 0.5847 0.4097 C.3 1 UNL1111111111 0.0568 7 C -0.4034 -0.3790 -0.4931 C.3 1 UNL1111111111 -0.2789 8 C 0.8608 2.9992 0.4949 C.3 1 UNL1111111111 -0.1050 9 C 1.8896 0.4035 0.1928 C.ar 1 UNL1111111111 -0.0531 10 C -1.4406 2.1697 0.5549 C.3 1 UNL1111111111 -0.1132 11 C 2.1513 2.8439 -0.3315 C.3 1 UNL1111111111 -0.2796 12 C 2.7208 1.4735 -0.1549 C.ar 1 UNL1111111111 0.0202 13 C -1.8669 -0.1976 -0.2517 C.ar 1 UNL1111111111 0.0146 14 C -2.3581 1.0204 0.2304 C.ar 1 UNL1111111111 -0.0289 15 C 2.4381 -0.8657 0.3911 C.ar 1 UNL1111111111 -0.2015 16 C 4.0876 1.2697 -0.3546 C.ar 1 UNL1111111111 -0.2230 17 C -2.7435 -1.2500 -0.5205 C.ar 1 UNL1111111111 -0.2131 18 C -3.7286 1.1968 0.4281 C.ar 1 UNL1111111111 -0.2120 19 C 3.8020 -1.0682 0.2018 C.ar 1 UNL1111111111 0.1187 20 C 4.6262 -0.0025 -0.1850 C.ar 1 UNL1111111111 0.1388 21 C -4.1094 -1.0769 -0.3138 C.ar 1 UNL1111111111 0.1314 22 C -4.6036 0.1498 0.1511 C.ar 1 UNL1111111111 0.1235 23 C 5.1452 -2.5387 1.4161 C.3 1 UNL1111111111 -0.1997 24 C 6.3863 -0.9579 -1.3852 C.3 1 UNL1111111111 -0.1982 25 C -5.6278 -2.6960 0.4103 C.3 1 UNL1111111111 -0.1989 26 C -6.7616 0.3617 -0.7075 C.3 1 UNL1111111111 -0.1987 27 H 0.1863 0.3525 1.4889 H 1 UNL1111111111 0.1314 28 H -0.0880 -1.4254 -0.3264 H 1 UNL1111111111 0.1527 29 H -0.1742 -0.1522 -1.5600 H 1 UNL1111111111 0.1800 30 H 1.0880 2.9497 1.5806 H 1 UNL1111111111 0.1191 31 H 0.4031 3.9917 0.2978 H 1 UNL1111111111 0.1354 32 H -1.8182 3.0963 0.0562 H 1 UNL1111111111 0.1557 33 H -1.4642 2.3568 1.6542 H 1 UNL1111111111 0.1277 34 H 2.8776 3.6290 -0.0502 H 1 UNL1111111111 0.1469 35 H 1.9182 3.0041 -1.4092 H 1 UNL1111111111 0.1721 36 H 1.8171 -1.7081 0.6937 H 1 UNL1111111111 0.1741 37 H 4.7413 2.0916 -0.6396 H 1 UNL1111111111 0.1727 38 H -2.3766 -2.2045 -0.8938 H 1 UNL1111111111 0.1750 39 H -4.1286 2.1403 0.7939 H 1 UNL1111111111 0.1701 40 H 4.6150 -2.3511 2.3544 H 1 UNL1111111111 0.1303 41 H 6.0262 -1.8930 1.3315 H 1 UNL1111111111 0.1440 42 H 5.4238 -3.5950 1.3292 H 1 UNL1111111111 0.1432 43 H 6.0668 -0.5176 -2.3344 H 1 UNL1111111111 0.1305 44 H 5.9882 -1.9724 -1.2738 H 1 UNL1111111111 0.1455 45 H 7.4791 -0.9538 -1.3006 H 1 UNL1111111111 0.1440 46 H -6.2631 -1.9601 0.9153 H 1 UNL1111111111 0.1451 47 H -4.9175 -3.1422 1.1125 H 1 UNL1111111111 0.1294 48 H -6.2336 -3.4687 -0.0768 H 1 UNL1111111111 0.1441 49 H -6.6975 -0.5851 -1.2553 H 1 UNL1111111111 0.1448 50 H -6.4910 1.2026 -1.3529 H 1 UNL1111111111 0.1304 51 H -7.7617 0.5017 -0.2820 H 1 UNL1111111111 0.1429 @BOND 1 1 19 1 2 1 23 1 3 2 20 1 4 2 24 1 5 3 21 1 6 3 25 1 7 4 22 1 8 4 26 1 9 5 6 1 10 5 8 1 11 5 10 1 12 6 7 1 13 6 9 1 14 6 27 1 15 7 13 1 16 7 28 1 17 7 29 1 18 8 11 1 19 8 30 1 20 8 31 1 21 9 12 ar 22 9 15 ar 23 10 14 1 24 10 32 1 25 10 33 1 26 11 12 1 27 11 34 1 28 11 35 1 29 12 16 ar 30 13 14 ar 31 13 17 ar 32 14 18 ar 33 15 19 ar 34 15 36 1 35 16 20 ar 36 16 37 1 37 17 21 ar 38 17 38 1 39 18 22 ar 40 18 39 1 41 19 20 ar 42 21 22 ar 43 23 40 1 44 23 41 1 45 23 42 1 46 24 43 1 47 24 44 1 48 24 45 1 49 25 46 1 50 25 47 1 51 25 48 1 52 26 49 1 53 26 50 1 54 26 51 1