HMDB0302531 RDKit 3D Byakangelicol 39 42 0 0 0 0 0 0 0 0999 V2000 -5.3654 0.8853 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 0.7025 0.7939 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9948 0.4274 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 1.4894 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 2.8623 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 3.3757 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1996 2.3807 -0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 1.2371 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4209 -0.0668 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 -0.3072 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9419 -0.4662 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 -0.7130 -0.6165 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6203 0.2398 -1.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 0.1669 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 1.2588 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 -0.5517 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2527 -1.1546 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 -2.3902 -0.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 -3.4421 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1722 -4.6284 -0.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 -3.2311 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3773 -1.9492 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 -0.8673 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9398 1.4506 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 1.5689 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7788 -0.0579 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 3.4212 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7758 4.4385 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 0.4583 0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -1.3153 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 -1.7605 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5788 2.0693 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 1.7415 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8039 0.9167 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5592 -1.6171 -0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0789 -0.5434 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 -0.1550 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5215 -4.1112 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 -1.7628 0.7697 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 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 9 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 3 1 0 8 4 1 0 14 12 1 0 23 17 2 0 1 24 1 0 1 25 1 0 1 26 1 0 5 27 1 0 6 28 1 0 11 29 1 0 11 30 1 0 12 31 1 6 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 21 38 1 0 22 39 1 0 M END