@MOLECULE 6-(phosphonooxy)-9-(5-o-phosphono-beta-d-ribofuranosyl)-9h-purine 41 43 0 0 0 SMALL USER_CHARGES @ATOM 1 P -4.9381 -1.4539 0.0124 P.3 1 UNL111 0.4058 2 O -4.5787 -1.3402 -1.5312 O.3 1 UNL111 -0.3773 3 C -2.7968 2.9962 -0.0609 C.1 1 UNL111 0.2936 4 C 1.2729 1.4942 -0.5979 C.3 1 UNL111 0.2532 5 C 1.6503 2.5849 0.4512 C.3 1 UNL111 0.0369 6 C 3.1894 2.4714 0.5436 C.3 1 UNL111 0.0868 7 C 3.4856 1.0429 0.0317 C.3 1 UNL111 0.0396 8 C 3.7953 0.0461 1.1561 C.3 1 UNL111 -0.0364 9 O -3.8991 -2.4917 0.5470 O.3 1 UNL111 -0.2455 10 O -6.3028 -1.6353 0.4494 O.2 1 UNL111 -0.1727 11 P 3.8080 -2.3573 -0.0055 P.3 1 UNL111 0.3518 12 O 3.7696 -1.9957 -1.5620 O.3 1 UNL111 -0.3855 13 O 5.0123 -3.3862 0.0612 O.3 1 UNL111 -0.2271 14 O 2.5811 -2.8373 0.6032 O.2 1 UNL111 -0.2646 15 O 4.5282 -1.0663 0.6414 O.3 1 UNL111 -0.3300 16 O 2.3190 0.5610 -0.6555 O.3 1 UNL111 -0.4377 17 N 0.0634 0.7841 -0.1878 N.pl3 1 UNL111 -0.3947 18 C -1.1783 1.4087 -0.1086 C.2 1 UNL111 0.2536 19 N -1.4772 2.7294 -0.1955 N.2 1 UNL111 -0.5542 20 N -3.7832 2.0922 0.1379 N.2 1 UNL111 -0.5293 21 C -3.4905 0.7664 0.2508 C.2 1 UNL111 0.5309 22 O -4.5395 0.0305 0.5786 O.2 1 UNL111 -0.2589 23 C -2.1330 0.3643 0.1216 C.2 1 UNL111 -0.1878 24 N -1.4607 -0.8570 0.1596 N.2 1 UNL111 -0.3736 25 C -0.1687 -0.6044 -0.0328 C.2 1 UNL111 0.1872 26 O 1.3123 3.8502 -0.0385 O.3 1 UNL111 -0.5608 27 O 3.8722 3.3554 -0.3074 O.3 1 UNL111 -0.5431 28 H -5.3464 -0.8690 -2.0218 H 1 UNL111 0.3305 29 H -3.1039 4.0547 -0.1278 H 1 UNL111 0.2012 30 H 1.1397 1.9096 -1.6312 H 1 UNL111 0.1693 31 H 1.1562 2.4264 1.4330 H 1 UNL111 0.1520 32 H 3.5779 2.6756 1.5618 H 1 UNL111 0.1489 33 H 4.2799 1.0581 -0.7540 H 1 UNL111 0.1829 34 H 4.5549 0.4620 1.8593 H 1 UNL111 0.1466 35 H 2.8852 -0.2142 1.7339 H 1 UNL111 0.1468 36 H -2.9275 -2.1750 0.2940 H 1 UNL111 0.3611 37 H 3.1253 -1.2071 -1.6890 H 1 UNL111 0.3331 38 H 5.8123 -2.9767 -0.4536 H 1 UNL111 0.3074 39 H 0.6317 -1.3380 -0.0528 H 1 UNL111 0.2316 40 H 0.3199 3.8943 -0.1601 H 1 UNL111 0.3761 41 H 3.2556 4.0428 -0.6578 H 1 UNL111 0.3521 @BOND 1 28 2 1 2 37 12 1 3 30 4 1 4 12 11 1 5 2 1 1 6 33 7 1 7 41 27 1 8 16 4 1 9 16 7 1 10 4 17 1 11 4 5 1 12 38 13 1 13 27 6 1 14 19 18 2 15 19 3 2 16 17 18 1 17 17 25 1 18 40 26 1 19 29 3 1 20 18 23 1 21 3 20 2 22 39 25 1 23 26 5 1 24 25 24 2 25 11 13 1 26 11 14 2 27 11 15 1 28 1 10 2 29 1 9 1 30 1 22 1 31 7 6 1 32 7 8 1 33 23 24 2 34 23 21 1 35 20 21 2 36 21 22 1 37 36 9 1 38 5 6 1 39 5 31 1 40 6 32 1 41 15 8 1 42 8 35 1 43 8 34 1