HMDB0033428 RDKit 3D (+)-Setoclavine 37 40 0 0 0 0 0 0 0 0999 V2000 -1.9026 -2.6811 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 -1.2870 0.6285 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6829 -0.4561 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 0.7873 -0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 1.8888 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 0.6043 -1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 1.3089 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1178 0.4545 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2551 0.9456 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 2.2822 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8876 2.6021 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8877 1.6461 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 0.3101 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -0.8350 0.3328 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 -1.8514 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -1.3072 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2276 0.0220 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.8713 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4035 -0.9803 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 -2.9510 -0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2661 -3.3648 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9722 -2.7798 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 -0.1852 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 -1.0471 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2701 2.0846 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 2.8313 0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7919 1.5694 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 1.5172 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 2.3589 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 3.0394 -0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 3.6175 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 1.9226 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2607 -0.9082 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 -2.8961 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 -2.2844 1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 -2.8173 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -1.2897 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 2 1 0 19 8 1 0 17 9 1 0 17 13 2 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 18 35 1 0 18 36 1 0 19 37 1 0 M END