HMDB0034132 RDKit 3D Rutacultin 38 39 0 0 0 0 0 0 0 0999 V2000 4.5352 1.9718 -0.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 0.9313 -1.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 0.1510 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -1.3278 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7233 0.3529 1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6465 0.4193 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 -0.5783 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6385 -0.3003 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -1.2892 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 -1.0274 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.0291 -0.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 -3.3532 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3273 0.2695 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6897 0.5192 0.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2239 1.7920 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 1.2477 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0195 0.9926 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1154 1.9314 0.5682 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1793 1.6826 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0453 2.5832 0.5959 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7541 2.3064 0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 2.5290 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 0.6574 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -1.5886 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 -1.9773 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3634 -1.5653 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 0.5920 1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 1.1295 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -0.5877 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -1.5938 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 -2.2806 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4431 -4.0294 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 -3.4506 -1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 -3.6426 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2789 1.7991 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6355 2.5707 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2180 1.9302 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6623 2.2628 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 6 1 0 17 8 1 0 1 21 1 0 1 22 1 0 2 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 9 31 1 0 12 32 1 0 12 33 1 0 12 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 M END