HMDB0249271 RDKit 3D Bisnafide 74 79 0 0 0 0 0 0 0 0999 V2000 2.3065 3.4877 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 2.2337 -1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4644 1.6311 -1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8463 0.4483 -2.6052 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8216 -0.2571 -3.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 -0.9226 -2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -0.0636 -1.6092 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8439 0.8092 -2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 1.6856 -1.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5427 2.6305 -2.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 0.9463 -0.4105 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 1.0569 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 1.8082 1.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9055 0.2922 1.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.4062 3.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3871 -0.3053 4.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3962 -1.1496 3.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6522 -1.2659 2.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6535 -2.1010 2.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9534 -2.2544 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9945 -3.1256 0.3200 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.2256 -3.2321 -0.8966 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7540 -3.8520 1.1959 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2045 -1.5345 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1822 -0.6770 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 -0.5538 1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4222 0.0622 -0.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 -0.1085 -1.9912 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4297 1.3066 -0.4486 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 0.7176 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 1.0258 1.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -0.2145 1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -0.7901 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 -1.6774 3.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 -2.0203 3.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 -1.4461 1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9838 -1.7860 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 -1.2391 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -1.5673 0.1238 N 0 0 0 0 0 4 0 0 0 0 0 0 9.3817 -1.0577 -0.8898 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 -2.4374 0.8563 O 0 0 0 0 0 1 0 0 0 0 0 0 6.8136 -0.3623 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -0.0067 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.5636 1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7806 0.9229 -0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3362 1.4035 -1.7744 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 4.1830 -1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 3.9842 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 3.2243 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 2.5371 -2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 2.4132 -2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 1.4189 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 0.6354 -3.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 0.3628 -4.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 -1.0827 -3.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -1.7834 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9413 -1.3973 -3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 -0.5361 -0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.2576 -3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2255 1.4841 -2.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 2.3010 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 3.0363 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 3.5148 -2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 2.1145 -2.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8572 1.0708 3.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 -0.2375 5.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9997 -1.7279 4.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -2.6759 2.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4313 -1.6474 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1106 -0.5159 2.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 -2.1114 4.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 -2.7159 3.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 -2.4804 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 0.0711 -1.1422 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 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 2 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 38 42 2 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 2 0 27 11 1 0 45 29 1 0 26 14 1 0 44 32 1 0 26 18 1 0 44 36 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 10 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 19 68 1 0 24 69 1 0 33 70 1 0 34 71 1 0 35 72 1 0 37 73 1 0 42 74 1 0 M CHG 4 21 1 23 -1 39 1 41 -1 M END