HMDB0302168 RDKit 3D Alexomycin 58 60 0 0 0 0 0 0 0 0999 V2000 -4.2397 -1.2529 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2659 -1.1200 1.2001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -2.3931 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2212 -0.1557 0.8779 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8567 1.1448 0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 1.7078 1.8426 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9156 1.8601 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 3.1548 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6513 3.8737 -1.4978 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 3.6579 0.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2767 1.2577 -1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6974 1.4857 -2.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 0.3734 -1.3377 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9051 -0.3270 -2.5447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 1.2346 -1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 2.6197 -1.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1823 0.6207 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 1.4358 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2955 2.6372 -0.6333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5226 0.7734 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6553 1.5557 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7182 2.8814 0.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7695 0.9345 1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 -0.4240 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -1.1875 0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 -2.8990 1.2166 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4995 -0.5780 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 -1.4259 0.0397 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8043 -2.6752 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -1.9359 1.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 -0.8414 -0.5856 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0540 -1.1723 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 -0.6115 -0.2299 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6837 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6461 -0.2603 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 -1.8250 0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 -1.8304 -0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 -3.0514 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8764 -2.2291 2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5585 -2.9085 2.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.0978 1.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0173 1.7601 2.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 3.6841 -2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1077 3.9933 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 -1.2299 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5729 3.1163 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1911 3.6030 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6601 1.4900 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 -0.9679 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -2.5940 -1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 -3.5538 -0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -2.6994 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6697 -2.8601 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9663 -1.3050 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 -0.6996 1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 -2.2551 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8748 -1.4890 -0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 0.0000 0.0000 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 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 3 8 10 1 0 7 11 1 0 11 12 2 0 11 13 1 0 13 14 1 6 13 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 28 30 1 1 28 31 1 0 31 32 1 0 32 33 1 0 33 4 1 0 33 13 1 0 31 17 1 0 27 20 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 1 6 42 1 0 9 43 1 0 10 44 1 0 14 45 1 0 16 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 29 50 1 0 29 51 1 0 29 52 1 0 30 53 1 0 31 54 1 6 32 55 1 0 32 56 1 0 33 57 1 6 34 58 1 0 M END