HMDB0257033 RDKit 3D QUINALPHOS 34 35 0 0 0 0 0 0 0 0999 V2000 3.9594 3.4308 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7854 2.6090 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 1.2669 -0.4337 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7764 0.4365 -0.9490 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9752 0.0243 -2.6150 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -1.0285 -0.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 -1.9872 -0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 -3.3116 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3463 1.3678 -0.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8929 0.7767 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 0.3331 -1.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8268 -0.2532 -1.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3232 -0.3942 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5525 -0.9807 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -1.1325 1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 -0.6825 2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -0.0910 2.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 0.0420 0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 0.6268 0.6913 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8805 2.9975 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 4.4546 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 3.4070 1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 2.5974 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3407 3.0584 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4182 -1.6602 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9449 -2.0708 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -3.1283 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -3.8097 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -3.9223 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 0.4683 -2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1275 -1.3323 -0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0525 -1.6012 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7058 -0.7800 3.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 0.2692 3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 10 1 0 18 13 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 M END