HMDB0035228 RDKit 3D Theaspirone A 35 36 0 0 0 0 0 0 0 0999 V2000 0.5099 2.5997 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.5431 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 1.9057 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 0.9019 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0225 1.1150 0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 -0.3583 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 -0.8319 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -0.8594 1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 -2.2093 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 0.1725 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 0.0759 -1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8853 -0.4861 -1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 -0.7354 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 -0.2139 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9319 -0.1319 0.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5331 2.1815 0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5335 3.3250 -0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 3.1912 1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 2.9297 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 -0.0504 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 -1.1058 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4638 -0.2050 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9156 -1.8940 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7717 -0.5205 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -2.8072 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 -2.7152 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 -2.2639 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 1.0924 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1062 -0.5098 -2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6962 0.2278 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 -1.4042 -1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 -1.8259 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7732 0.3912 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -1.0258 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 0.5014 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 10 2 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 6 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 M END