HMDB0260333 RDKit 3D 8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dihydro-purine-2,6-dione 46 48 0 0 0 0 0 0 0 0999 V2000 -3.3744 -3.4075 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -2.3591 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 -1.5677 1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 -0.8710 0.6325 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -1.4061 0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1203 -2.5406 1.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1085 -0.7294 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.9506 0.3868 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 0.1018 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 0.2746 -0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 0.1590 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -1.0178 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 -0.9827 -0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9045 -0.8042 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 1.0212 -0.4525 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 0.5313 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 1.0784 -0.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 2.4084 -0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 3.4044 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 4.7893 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 4.8819 -1.0098 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 0.3772 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 0.8871 -0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8811 -4.0610 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 -2.9602 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0631 -4.1227 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6839 -1.6835 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2175 -2.9035 0.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4927 -2.1953 1.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4145 -0.8109 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 -1.8497 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 1.2355 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 -0.0269 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 1.0980 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3442 -1.9312 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8057 -0.9086 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8332 -0.0340 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -1.8785 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3244 -1.7403 -1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -0.4673 -2.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 2.5344 -1.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 2.4836 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3576 3.2088 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 3.3071 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7868 4.8862 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 5.5420 0.4532 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 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 9 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 17 22 1 0 22 23 2 0 22 4 1 0 16 7 2 0 14 10 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 M END