HMDB0250886 RDKit 3D Dazoxiben 29 30 0 0 0 0 0 0 0 0999 V2000 -5.1814 2.2580 -0.4104 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 1.1178 -0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5655 0.2046 -1.2819 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 0.7733 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5086 1.6669 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 1.3624 0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7052 0.1100 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -0.2077 0.7024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 -1.4953 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -1.5635 0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 -0.5399 0.1548 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 0.7447 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 1.3675 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4453 0.4085 -1.4496 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 -0.7337 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 -0.8090 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 -0.4816 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 0.0166 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 2.6521 0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 2.0640 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 -1.6781 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 -2.2429 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9128 -2.5506 0.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -1.4193 1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 1.2436 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5551 2.4068 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 -1.6602 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 -1.7981 -0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 -1.2168 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 7 16 1 0 16 17 2 0 17 4 1 0 15 11 1 0 3 18 1 0 5 19 1 0 6 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 M END