@MOLECULE 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methoxy-9h-purin-2-amine 40 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 1.4024 -2.5096 0.5779 P.3 1 UNL1 0.3118 2 O 2.1544 0.3682 -1.0880 O.3 1 UNL1 -0.4435 3 O 3.5657 3.0183 0.1028 O.3 1 UNL1 -0.5555 4 O 2.1825 -1.3198 1.3278 O.3 1 UNL1 -0.2881 5 O -4.2106 -0.7037 0.1916 O.3 1 UNL1 -0.2215 6 O 1.4895 -2.2361 -0.9863 O.3 1 UNL1 -0.3906 7 O -0.1412 -2.3750 0.9445 O.3 1 UNL1 -0.3397 8 O 1.9725 -3.7671 1.0203 O.2 1 UNL1 -0.1340 9 N -0.0715 0.7891 -1.5551 N.ar 1 UNL1 -0.4172 10 N -1.7296 -0.7580 -1.8419 N.ar 1 UNL1 -0.3108 11 N -0.9898 1.9387 0.4392 N.ar 1 UNL1 -0.6096 12 N -3.1672 1.0198 1.1360 N.ar 1 UNL1 -0.5855 13 N -2.1648 2.7875 2.2719 N.pl3 1 UNL1 -0.5581 14 C 2.3448 2.3253 0.2554 C.3 1 UNL1 0.1310 15 C 1.2893 1.3076 -1.6923 C.3 1 UNL1 0.3201 16 C 2.5899 0.7979 0.2022 C.3 1 UNL1 0.0297 17 C 1.5362 2.6552 -1.0123 C.3 1 UNL1 -0.3589 18 C 1.8230 0.0567 1.3085 C.3 1 UNL1 -0.0779 19 C -0.9955 1.0086 -0.5391 C.ar 1 UNL1 0.3464 20 C -0.5651 -0.3340 -2.2989 C.ar 1 UNL1 0.1421 21 C -2.0425 0.0355 -0.7350 C.ar 1 UNL1 -0.2845 22 C -3.1352 0.0903 0.1596 C.ar 1 UNL1 0.4952 23 C -2.1069 1.8946 1.2426 C.ar 1 UNL1 0.5720 24 C -4.2736 -1.7140 -0.8234 C.3 1 UNL1 -0.2083 25 H 4.1185 2.9471 0.9038 H 1 UNL1 0.3175 26 H 1.7138 -1.2521 -1.1493 H 1 UNL1 0.3350 27 H -0.5830 -1.6474 0.3848 H 1 UNL1 0.3053 28 H -1.4665 3.4966 2.3645 H 1 UNL1 0.3230 29 H -2.9758 2.8150 2.8613 H 1 UNL1 0.3305 30 H 1.8465 2.6657 1.1845 H 1 UNL1 0.1363 31 H 1.5703 1.2766 -2.7770 H 1 UNL1 0.1597 32 H 3.6709 0.5307 0.1947 H 1 UNL1 0.1730 33 H 2.1242 3.3322 -1.6669 H 1 UNL1 0.1880 34 H 0.6063 3.2057 -0.7737 H 1 UNL1 0.1961 35 H 2.1952 0.3754 2.3116 H 1 UNL1 0.1479 36 H 0.7398 0.2728 1.2745 H 1 UNL1 0.1399 37 H -0.0138 -0.7459 -3.1323 H 1 UNL1 0.2047 38 H -5.2181 -2.2140 -0.5756 H 1 UNL1 0.1553 39 H -3.4224 -2.4036 -0.7455 H 1 UNL1 0.1675 40 H -4.3068 -1.2637 -1.8219 H 1 UNL1 0.1555 @BOND 1 37 20 1 2 31 15 1 3 20 10 ar 4 20 9 ar 5 10 21 ar 6 40 24 1 7 15 9 1 8 15 2 1 9 15 17 1 10 33 17 1 11 9 19 ar 12 26 6 1 13 2 16 1 14 17 34 1 15 17 14 1 16 6 1 1 17 24 39 1 18 24 38 1 19 24 5 1 20 21 19 ar 21 21 22 ar 22 19 11 ar 23 3 14 1 24 3 25 1 25 22 5 1 26 22 12 ar 27 32 16 1 28 16 14 1 29 16 18 1 30 14 30 1 31 27 7 1 32 11 23 ar 33 1 7 1 34 1 8 2 35 1 4 1 36 12 23 ar 37 23 13 1 38 36 18 1 39 18 4 1 40 18 35 1 41 13 28 1 42 13 29 1