HMDB0245539 RDKit 3D 2'-Oxoquinidinone 47 50 0 0 0 0 0 0 0 0999 V2000 -2.5013 -3.5943 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 -2.9703 0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 -1.5609 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6801 -0.7064 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 0.6328 0.8496 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 1.0939 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9284 0.4121 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 -0.9121 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 -0.6150 -1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 0.6741 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0516 0.9633 -0.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 0.7795 -2.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8982 1.4497 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 2.3335 1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3294 2.8883 1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 3.6764 2.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 2.5649 1.8921 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 1.7227 0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4407 1.4033 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9249 0.5349 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 -0.0389 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 -0.9006 -1.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 -1.5137 -2.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 0.2833 -0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 1.1588 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2251 -4.6556 -0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 -3.1014 -1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 -3.5526 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7233 -1.4609 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 -1.2254 1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.5816 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 2.1981 0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3689 0.7948 2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1142 1.0413 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8969 0.1647 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 -1.5197 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -1.3896 -0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 -0.5783 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 1.4780 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5855 2.5919 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 2.9580 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0901 1.8560 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 0.3234 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 -2.2843 -3.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -0.7149 -3.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 -1.9225 -2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1055 -0.1787 -1.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 2 0 8 3 1 0 25 13 1 0 10 5 1 0 25 18 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 14 40 1 0 17 41 1 0 19 42 1 0 20 43 1 0 23 44 1 0 23 45 1 0 23 46 1 0 24 47 1 0 M END