HMDB0251551 RDKit 3D DN-isobutylamide 63 64 0 0 0 0 0 0 0 0999 V2000 6.0245 0.2037 5.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1574 -0.8896 4.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8599 -2.0598 4.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7894 -1.2414 3.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2388 -0.0941 3.0982 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 -0.0226 2.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 -1.0816 2.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 1.2404 1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 1.3261 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2041 0.9956 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -0.2355 1.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 1.4805 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2204 2.3449 -1.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6912 0.9337 -0.9976 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 1.5038 -2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8178 2.8441 -1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 2.5693 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3324 2.4726 -1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9502 2.0440 -0.1511 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 1.8677 0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8161 2.1840 0.2021 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 0.7071 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1236 1.2088 -3.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -0.5168 -3.8023 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6057 -1.0522 -4.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 -2.5232 -4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -2.5095 -4.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -1.5156 -3.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -2.3641 -2.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 -2.3247 -1.5302 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -3.2652 -1.9958 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8771 0.1958 6.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 0.0611 5.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0038 1.1948 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 -0.4846 3.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9413 -2.1238 4.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9352 -1.9845 6.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -3.0029 4.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 -2.0108 2.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 -1.6819 4.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 0.8019 3.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 2.0136 2.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 1.7013 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 0.7507 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 2.3951 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2501 1.7117 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 -0.2076 1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 0.2902 -0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1889 1.8248 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 3.2302 -2.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1055 3.5311 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 2.6955 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0932 1.4925 1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 2.1485 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3094 -0.6346 -5.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6487 -0.8484 -4.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 -3.0759 -4.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 -2.8744 -6.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2298 -2.1185 -5.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -3.5060 -4.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7434 -1.1053 -3.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3069 -1.6309 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0099 -2.9790 -1.6844 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 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 15 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 21 17 1 0 28 24 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 18 52 1 0 20 53 1 0 21 54 1 0 25 55 1 0 25 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 28 61 1 0 30 62 1 0 30 63 1 0 M END