HMDB0041986 RDKit 3D Pibutidine 50 52 0 0 0 0 0 0 0 0999 V2000 7.8598 -1.5197 -1.7682 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -0.2960 -1.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9452 0.1097 -1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7051 -0.5291 -0.8296 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4082 -1.0383 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 0.1044 1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4235 0.4971 2.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1384 -0.1759 2.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0674 0.6562 1.6636 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 0.0750 1.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 0.7870 1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 0.2065 1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 0.9413 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0087 0.9125 -0.6648 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1728 1.6224 -1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3898 0.7780 -0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2799 -0.5220 -1.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 -1.2387 -1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 -0.3249 -1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -1.1191 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5849 -1.8070 1.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -1.2099 1.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 1.4061 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9599 2.5283 -0.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 0.9971 -1.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7852 1.6037 -1.4973 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8516 -1.7176 -1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3628 -2.2629 -2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0415 -0.6248 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -1.6993 0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3030 -1.7256 0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4241 0.6457 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 1.3906 2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0711 -1.1389 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -0.4333 3.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 1.8266 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 0.6207 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 2.0226 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2198 2.5740 -0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0948 1.8109 -2.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2844 1.3143 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5521 0.6316 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 -0.3865 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1068 -1.1854 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8421 -1.9507 -2.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0786 -1.8655 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5901 -0.0889 -2.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9103 -0.8289 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -1.6287 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6534 -2.8661 2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 12 20 2 0 20 21 1 0 21 22 2 0 3 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 25 2 1 0 22 10 1 0 19 14 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 11 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 M END