HMDB0015502 RDKit 3D Methadyl Acetate 57 58 0 0 0 0 0 0 0 0999 V2000 -2.6030 1.8470 -1.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 0.8140 -1.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 0.5632 -0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 1.7879 0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 2.5951 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 3.8912 1.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9581 2.2314 1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -0.5586 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9798 -0.2156 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 0.9641 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0765 1.0946 1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 1.0248 -0.9963 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 -0.0646 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 2.3164 -1.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8901 -1.7323 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1405 -2.2456 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 -3.3098 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -3.8938 -2.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -3.4146 -2.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 -2.3413 -1.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -1.0064 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 -0.8020 2.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 -1.2487 3.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -1.9317 3.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 -2.1339 3.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 -1.6771 1.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 1.4653 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 2.7695 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 2.1021 -3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -0.0773 -2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.3188 -2.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3634 0.3375 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 4.3336 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 4.5705 1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 3.7134 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 -1.1017 -0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8008 -0.0316 -1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1871 1.9276 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 2.1016 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 1.1913 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 0.3837 1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 -0.6962 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 -0.7218 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8889 0.2099 -0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 2.2544 -0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 3.0778 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 2.6757 -2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -1.8285 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7025 -3.6794 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4239 -4.7379 -2.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1702 -3.8683 -3.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7334 -2.0180 -2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -0.2836 1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0186 -1.1054 4.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -2.2933 4.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 -2.6712 3.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 -1.8719 1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 8 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 8 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 20 15 1 0 26 21 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 6 33 1 0 6 34 1 0 6 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 14 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 25 56 1 0 26 57 1 0 M END