HMDB0030208 RDKit 3D Koenigicine 45 48 0 0 0 0 0 0 0 0999 V2000 5.7528 2.5956 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5926 1.2397 -0.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3289 0.7017 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 1.4938 -0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 0.9506 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 1.4566 -0.3219 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 0.4868 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 0.5761 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 -0.6000 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -1.7989 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 -3.0398 0.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3124 -1.8166 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4356 -0.6887 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 -0.4010 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 -1.1775 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1586 -0.6430 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -1.4398 0.3214 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1374 -2.8052 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6844 -0.4763 0.1251 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 0.6905 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3868 1.0129 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3029 0.4467 -1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 1.8904 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2853 1.8207 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 2.8482 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5133 3.2003 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8004 2.8246 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2939 2.5633 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 2.4544 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5574 -3.5856 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 -3.6323 1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5175 -2.6931 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 -2.7267 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7615 -2.2245 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -3.2640 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -2.9077 1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -3.3452 -0.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8519 1.1595 1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9318 1.9367 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1296 0.2148 1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 1.4154 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7135 -0.1947 -2.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2171 -0.1127 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 2.8613 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7079 2.7330 -0.6046 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 9 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 23 24 2 0 16 3 1 0 14 5 2 0 13 7 1 0 24 8 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 15 34 1 0 18 35 1 0 18 36 1 0 18 37 1 0 21 38 1 0 21 39 1 0 21 40 1 0 22 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 M END