HMDB0060945 RDKit 3D A771726 28 28 0 0 0 0 0 0 0 0999 V2000 -4.1181 0.4239 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0024 -0.2314 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 -0.6069 -0.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8755 -0.4698 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 -1.1235 -1.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -1.6318 -2.9155 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -0.0576 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 0.5703 1.1174 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -0.4077 -0.6690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 -0.1275 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9562 -0.8241 -0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -0.5941 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5892 0.3630 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 0.6180 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 -0.3176 1.5754 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 1.9076 1.0942 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8249 0.4538 -0.4951 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5726 1.0460 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2212 0.8252 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1913 0.3387 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 -0.0734 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8965 1.5005 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -1.0842 -1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -0.9629 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6463 -1.5669 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 -1.1634 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 1.8002 1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4776 1.3955 1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 0 4 5 1 0 5 6 3 0 4 7 1 0 7 8 2 0 7 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 1 0 14 16 1 0 14 17 1 0 13 18 1 0 18 19 2 0 19 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 18 27 1 0 19 28 1 0 M END