HMDB0062502 RDKit 3D NeuNGc 41 41 0 0 0 0 0 0 0 0999 V2000 -2.3410 -1.8284 1.9785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 -1.8111 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 -2.8719 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -2.7535 -1.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9992 -0.8507 -0.1116 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 0.1743 0.3931 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6759 1.5510 0.1083 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1366 2.1752 1.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7128 2.4571 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 2.3364 -0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 2.6018 -1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9993 3.3879 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 3.4138 2.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 4.3937 0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 1.0858 0.3811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2709 0.0805 -0.1943 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7881 -1.2891 0.0367 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8604 -1.5915 1.3951 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0467 -1.6696 -0.6677 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1647 -3.0769 -0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3066 -1.0991 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 0.2736 -0.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0403 -3.8652 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4729 -2.8343 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5764 -2.7707 -1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -0.8714 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 0.0431 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5615 1.4299 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 1.7532 2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7672 2.3222 -1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 3.5108 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 3.3085 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 4.3359 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.3020 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 -1.9861 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 -2.5564 1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 -1.5291 -1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6543 -3.2356 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 -1.4513 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1639 -1.5244 -0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3477 0.5292 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 16 6 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 1 7 28 1 6 8 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 14 33 1 0 16 34 1 6 17 35 1 6 18 36 1 0 19 37 1 6 20 38 1 0 21 39 1 0 21 40 1 0 22 41 1 0 M END