HMDB0259127 RDKit 3D Tretazicar 26 27 0 0 0 0 0 0 0 0999 V2000 3.8071 1.2850 0.4222 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4644 1.4918 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1288 2.7495 0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 0.5084 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.9173 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 0.0370 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 0.5317 -0.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6643 0.8913 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1113 1.3819 0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 -1.2947 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -2.2729 -0.5127 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.5998 -3.4513 -0.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9442 -1.9119 -1.0967 O 0 0 0 0 0 1 0 0 0 0 0 0 0.5805 -1.7280 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 -0.8182 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -1.4199 -0.2292 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8878 -0.9137 -0.7656 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0784 -2.6768 0.3136 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5573 1.6371 -0.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 0.7984 1.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 1.9658 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4453 0.1175 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 1.6487 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3009 0.8696 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 2.4347 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7516 -2.7785 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 6 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 15 4 1 0 9 7 1 0 1 19 1 0 1 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 14 26 1 0 M CHG 4 11 1 13 -1 16 1 18 -1 M END