HMDB0253480 RDKit 3D Indospicine 27 26 0 0 0 0 0 0 0 0999 V2000 4.3073 -1.3277 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 -0.3768 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 0.3800 1.7588 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 -0.0611 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 -0.2512 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 0.0765 -0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 -0.1059 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5023 0.1817 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 1.5217 -1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -0.1232 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5889 0.7824 0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9282 -1.3595 0.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 -1.5370 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1256 0.0294 2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 1.3009 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 1.0305 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4703 -0.6466 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9652 -1.2793 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 0.5011 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.6409 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 1.0862 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 -1.1600 0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 0.5210 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.5133 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4919 1.6789 -1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 2.2578 -0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7745 -1.8608 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 3 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 M END