HMDB0001546 RDKit 3D CDP 40 41 0 0 0 0 0 0 0 0999 V2000 5.7352 -2.3919 2.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 -1.8675 1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4008 -2.6114 1.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 -1.9534 0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 -0.6253 0.6552 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 0.0340 0.2604 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9090 0.2990 -1.0505 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 1.1936 -0.8970 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9165 1.5992 -2.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 0.3858 -2.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7329 -0.1030 -1.7025 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2786 0.9986 -0.8501 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -1.3773 -0.7236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9544 -0.7762 -2.5941 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1712 -1.1975 -1.4407 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6100 -1.0945 -0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3931 -0.0588 -1.6625 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7178 -2.7679 -1.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 2.2641 -0.1027 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2928 3.2816 0.3557 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9997 1.3411 1.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1217 1.2344 1.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 0.0718 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 1.3258 0.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5398 -0.5618 1.4379 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 -3.3480 2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2894 -1.7489 3.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 -3.6597 1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -2.5172 0.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 -0.5940 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8651 0.7132 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6604 2.3502 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 1.9798 -2.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -1.2373 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4508 0.0617 -2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2041 -2.8027 -2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 2.7120 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 3.5846 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8254 1.6938 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 1.4118 2.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 11 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 15 18 1 0 8 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 5 23 1 0 23 24 2 0 23 25 1 0 25 2 2 0 21 6 1 0 1 26 1 0 1 27 1 0 3 28 1 0 4 29 1 0 6 30 1 1 8 31 1 1 9 32 1 0 9 33 1 0 13 34 1 0 17 35 1 0 18 36 1 0 19 37 1 6 20 38 1 0 21 39 1 1 22 40 1 0 M END