@MOLECULE (2r)-2-[(9-{(2r,3r,4s,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}-9h-purin-6-yl)amino]-3-phosphonopropanoic acid 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 P 6.2475 -2.2381 0.2559 P.3 1 UNL11111111111 0.3471 2 P -5.8593 -2.2323 -0.4438 P.3 1 UNL11111111111 0.3021 3 O 3.2827 0.5346 -1.2097 O.3 1 UNL11111111111 -0.3984 4 O 2.4096 3.8581 -0.8876 O.3 1 UNL11111111111 -0.5461 5 O 4.4383 2.4538 1.3514 O.3 1 UNL11111111111 -0.5503 6 O 5.4895 -0.9675 -0.3080 O.3 1 UNL11111111111 -0.2243 7 O 7.1717 -1.6554 1.4187 O.3 1 UNL11111111111 -0.3265 8 O 5.2068 -3.0834 1.1339 O.3 1 UNL11111111111 -0.4329 9 O 6.8884 -2.9188 -0.8542 O.2 1 UNL11111111111 -0.2422 10 O -5.8703 -1.4091 -1.8150 O.3 1 UNL11111111111 -0.3927 11 O -7.3935 -2.6445 -0.2253 O.3 1 UNL11111111111 -0.4194 12 O -6.2165 1.9322 1.4320 O.3 1 UNL11111111111 -0.5716 13 O -4.9305 -3.3581 -0.4034 O.2 1 UNL11111111111 -0.3547 14 OXT -4.3024 1.5805 2.5275 O.2 1 UNL11111111111 -0.4697 15 N 1.0470 0.7831 -0.6874 N.ar 1 UNL11111111111 -0.3751 16 N -0.3610 -0.7696 0.1837 N.ar 1 UNL11111111111 -0.3439 17 N -0.5829 2.6059 -1.0925 N.ar 1 UNL11111111111 -0.5415 18 N -3.4137 -0.0973 0.4419 N.pl3 1 UNL11111111111 -0.4551 19 N -2.8425 1.9751 -0.5089 N.ar 1 UNL11111111111 -0.5849 20 C 2.6276 2.6366 -0.2368 C.3 1 UNL11111111111 0.0304 21 C 2.2365 1.4671 -1.1846 C.3 1 UNL11111111111 0.2419 22 C 4.1434 2.4569 -0.0248 C.3 1 UNL11111111111 0.0842 23 C 4.4564 1.0414 -0.5592 C.3 1 UNL11111111111 0.0658 24 C 4.8448 0.0269 0.5260 C.3 1 UNL11111111111 -0.0447 25 C -0.2124 1.3608 -0.6857 C.ar 1 UNL11111111111 0.2574 26 C 0.9053 -0.5173 -0.1466 C.ar 1 UNL11111111111 0.1575 27 C -1.0942 0.3701 -0.1416 C.ar 1 UNL11111111111 -0.1805 28 C -2.4672 0.7351 -0.0647 C.ar 1 UNL11111111111 0.4675 29 CA -4.8176 0.3082 0.4609 C.3 1 UNL11111111111 0.0838 30 C -5.7897 -0.8588 0.7661 C.3 1 UNL11111111111 -0.2041 31 C -1.9079 2.8341 -0.9841 C.ar 1 UNL11111111111 0.3056 32 C -5.0128 1.3244 1.5990 C.2 1 UNL11111111111 0.5974 33 H 2.0693 2.6253 0.7250 H 1 UNL11111111111 0.1597 34 H 2.0616 1.7997 -2.2430 H 1 UNL11111111111 0.1749 35 H 4.7322 3.2517 -0.5297 H 1 UNL11111111111 0.1529 36 H 5.2164 1.0600 -1.3789 H 1 UNL11111111111 0.1703 37 H 3.9534 -0.3814 1.0387 H 1 UNL11111111111 0.1462 38 H 5.5286 0.4784 1.2745 H 1 UNL11111111111 0.1628 39 H 1.4363 3.9449 -1.0800 H 1 UNL11111111111 0.3564 40 H 4.3310 3.3517 1.7304 H 1 UNL11111111111 0.3307 41 H 1.7506 -1.1869 -0.0445 H 1 UNL11111111111 0.2167 42 HA -5.0733 0.8381 -0.5156 H 1 UNL11111111111 0.2205 43 H -3.1353 -1.0120 0.7896 H 1 UNL11111111111 0.3538 44 H -6.8413 -0.4224 0.8439 H 1 UNL11111111111 0.2198 45 H -5.5560 -1.3092 1.7792 H 1 UNL11111111111 0.1968 46 H -2.2773 3.8220 -1.3108 H 1 UNL11111111111 0.1986 47 H 4.6236 -3.6499 0.5219 H 1 UNL11111111111 0.3311 48 H 7.2543 -2.3681 2.1550 H 1 UNL11111111111 0.3191 49 H -5.6591 -2.0299 -2.5940 H 1 UNL11111111111 0.3244 50 H -7.5632 -3.5721 -0.6030 H 1 UNL11111111111 0.3260 51 H -6.3993 2.6442 2.0908 H 1 UNL11111111111 0.3573 @BOND 1 1 6 1 2 1 7 1 3 1 8 1 4 1 9 2 5 2 10 1 6 2 11 1 7 2 13 2 8 2 30 1 9 3 21 1 10 3 23 1 11 4 20 1 12 4 39 1 13 5 22 1 14 5 40 1 15 6 24 1 16 7 48 1 17 8 47 1 18 10 49 1 19 11 50 1 20 12 32 1 21 12 51 1 22 14 32 2 23 15 21 1 24 15 25 ar 25 15 26 ar 26 16 26 ar 27 16 27 ar 28 17 25 ar 29 17 31 ar 30 18 28 1 31 18 29 1 32 18 43 1 33 19 28 ar 34 19 31 ar 35 20 21 1 36 20 22 1 37 20 33 1 38 21 34 1 39 22 23 1 40 22 35 1 41 23 24 1 42 23 36 1 43 24 37 1 44 24 38 1 45 25 27 ar 46 26 41 1 47 27 28 ar 48 29 30 1 49 29 32 1 50 29 42 1 51 30 44 1 52 30 45 1 53 31 46 1