HMDB0301836 RDKit 3D Pinolidoxin 50 50 0 0 0 0 0 0 0 0999 V2000 8.1611 -1.6121 -1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7259 -1.3224 -1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 -1.0534 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4709 -0.7723 -0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 -0.5038 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2096 -0.2220 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -0.2324 -1.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3513 0.0571 1.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 0.3360 0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 1.7809 1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3824 2.7335 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 3.5587 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 3.1542 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 1.7997 -0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 1.9736 -1.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8045 0.9495 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 1.5677 1.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1905 -0.4497 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -1.0878 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3062 -2.4720 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 -3.3709 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2354 -0.5091 1.6829 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 -0.5985 1.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -1.4726 2.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3813 -2.6916 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5094 -1.0881 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 -1.1940 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3082 -1.3288 -2.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3065 -1.0451 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0711 -0.7820 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.4882 1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 0.2700 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1928 1.8086 2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 2.1381 2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 3.4442 0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 2.1972 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 4.5817 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 3.8211 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 1.4132 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7552 2.3928 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8776 0.8448 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 2.5355 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0777 -1.0495 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -0.5176 -1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8913 -1.2926 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.3853 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 -2.9207 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3092 -4.3917 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 -3.5284 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 -2.9755 0.4631 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 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 18 22 1 0 22 23 1 0 23 24 2 0 23 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 M END