HMDB0035080 RDKit 3D Miltirone 43 45 0 0 0 0 0 0 0 0999 V2000 5.2734 0.9568 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5672 0.0286 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 -1.3714 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 0.1473 -0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 -0.8386 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 -0.7660 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0934 -1.8783 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 -1.7730 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9232 -0.5869 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1369 0.5371 -0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 0.4764 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0347 1.6380 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 2.7444 -0.7794 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 1.4431 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1689 2.4747 -0.8889 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 1.7590 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 1.9920 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 0.8739 0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 -0.3950 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8816 -1.5434 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0617 -0.6100 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 2.0137 0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9427 0.8068 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 0.6708 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 0.3052 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8089 -2.0721 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1652 -1.3927 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6532 -1.7795 0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 -1.8119 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5968 -2.8282 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 -2.6439 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 2.6303 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 1.4265 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 2.0797 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3659 2.9427 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7773 1.1870 0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0069 0.6615 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8451 -1.2501 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 -2.4840 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 -1.6298 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 -0.7686 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -1.5838 -1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6779 0.2115 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 10 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 14 4 1 0 11 6 1 0 19 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 16 32 1 0 16 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 20 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 21 43 1 0 M END