HMDB0037922 RDKit 3D Phaseol 41 44 0 0 0 0 0 0 0 0999 V2000 -5.5127 0.2792 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6806 -0.4292 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3879 -1.3576 1.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 -0.2487 0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 0.6480 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -0.0118 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 -0.8224 -1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 -1.0646 -2.3539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 -1.4172 -2.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5841 -1.1957 -2.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 -0.3913 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 0.2024 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0211 0.9733 0.6293 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 1.2102 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4197 1.9555 2.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 0.6445 0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 0.7113 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 1.3925 1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 1.2776 1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 0.4952 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7108 0.3633 0.5824 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -0.1752 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 -0.0675 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 -0.5818 -1.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 -0.1756 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5998 0.1752 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 1.3697 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3378 -0.1873 -1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5155 -2.3299 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7654 -1.4952 2.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3676 -0.9102 1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 -0.7802 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 1.1983 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 1.4724 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 -1.6468 -3.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 -2.0539 -3.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4465 -1.6331 -2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 1.9743 2.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 1.8015 2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2721 0.8348 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0763 -0.7923 -1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 12 6 1 0 25 16 2 0 25 11 1 0 23 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 18 38 1 0 19 39 1 0 21 40 1 0 22 41 1 0 M END