HMDB0015636 RDKit 3D Agomelatine 35 36 0 0 0 0 0 0 0 0999 V2000 -3.8571 3.1368 -0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6081 2.5613 -0.4073 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5148 1.1856 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 0.3526 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -0.9955 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 -1.5425 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -2.8924 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -3.4892 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2285 -2.6680 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1599 -1.2753 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3748 -0.4477 0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -0.0175 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1288 0.7905 -0.5706 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2786 0.3655 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4245 1.2654 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3664 -0.8022 0.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 -0.7400 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 0.6240 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1409 3.0622 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6668 2.6914 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8031 4.2198 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5729 0.7418 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -1.6338 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9582 -3.5001 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8171 -4.5629 0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1921 -3.1201 0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1078 0.4742 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -1.0410 1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2089 0.5453 -1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -0.9145 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 1.7765 -0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4471 2.0867 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 1.7581 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 0.7058 0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 1.2994 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 10 17 1 0 17 18 2 0 18 3 1 0 17 6 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 18 35 1 0 M END