HMDB0041812 RDKit 3D 6-Acetylmorphine 45 49 0 0 0 0 0 0 0 0999 V2000 5.3330 -2.1368 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4419 -0.9561 -0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9313 0.1976 -0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -1.0509 -0.6788 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 0.0584 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4041 0.2635 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 -0.1363 -1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 -0.8340 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 -0.7706 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 0.5849 -0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6959 1.5940 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0179 2.9234 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 3.8128 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 3.3568 1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9937 4.2224 1.6304 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 2.0068 1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 1.1882 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0757 -0.2264 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 -0.8926 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 -1.9062 1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 -1.7290 0.0951 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 -2.0114 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.0318 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 1.1900 1.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3699 -1.7995 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 -2.6972 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -2.8264 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8634 0.9397 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 0.7901 -2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 0.0748 -2.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 -1.9021 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 -1.1439 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 0.5344 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 0.9883 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 3.3095 -0.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 4.8775 0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 3.8690 2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 -1.3758 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.1363 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5245 -2.0083 2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 -2.9148 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1758 -2.4858 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5543 -1.1972 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0553 -2.8012 -0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 -0.8114 1.4353 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 1 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 18 23 1 0 23 24 1 0 23 5 1 0 18 8 1 0 21 9 1 0 17 11 1 0 24 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 22 42 1 0 22 43 1 0 22 44 1 0 23 45 1 0 M END