@MOLECULE 2-(6-amino-9h-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-o-phosphonohexitol 39 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.8356 1.2393 0.2173 P.3 1 UNL1 0.3312 2 O -0.8504 -0.5911 0.7066 O.3 1 UNL1 -0.4023 3 O -0.9873 -3.0262 -1.9047 O.3 1 UNL1 -0.5722 4 O -3.4600 -0.1208 -0.5604 O.3 1 UNL1 -0.3455 5 O -4.6309 0.6060 1.4451 O.3 1 UNL1 -0.3148 6 O -2.5064 1.8888 0.7988 O.3 1 UNL1 -0.3569 7 O -4.6461 2.1931 -0.5109 O.2 1 UNL1 -0.1681 8 N 2.1746 -1.0947 0.9228 N.ar 1 UNL1 -0.3458 9 N 3.9095 0.1802 1.6873 N.ar 1 UNL1 -0.3225 10 N 1.8495 0.0580 -1.2729 N.ar 1 UNL1 -0.5281 11 N 3.3917 1.8922 -1.6099 N.ar 1 UNL1 -0.5677 12 N 5.0039 2.5243 -0.0418 N.pl3 1 UNL1 -0.5470 13 C 1.0723 -2.0479 1.0605 C.3 1 UNL1 0.0594 14 C 0.7198 -2.7655 -0.2490 C.3 1 UNL1 -0.3535 15 C -0.3097 -2.0454 -1.1350 C.3 1 UNL1 0.1146 16 C -1.4355 -1.3812 -0.3194 C.3 1 UNL1 0.0486 17 C -0.1662 -1.3465 1.6708 C.3 1 UNL1 -0.0656 18 C -2.2060 -0.3727 -1.1926 C.3 1 UNL1 -0.0187 19 C 2.4259 -0.1494 -0.0607 C.ar 1 UNL1 0.3135 20 C 3.1021 -0.8351 1.9726 C.ar 1 UNL1 0.1014 21 C 3.5254 0.6409 0.4333 C.ar 1 UNL1 -0.2163 22 C 3.9900 1.6950 -0.3969 C.ar 1 UNL1 0.4696 23 C 2.3731 1.0800 -1.9801 C.ar 1 UNL1 0.3006 24 H -0.4140 -3.3638 -2.6172 H 1 UNL1 0.3216 25 H -4.1433 -0.2285 1.7772 H 1 UNL1 0.2994 26 H -1.7908 1.1773 0.9653 H 1 UNL1 0.3235 27 H 5.2976 3.2619 -0.6532 H 1 UNL1 0.3249 28 H 5.4597 2.4084 0.8434 H 1 UNL1 0.3285 29 H 1.4302 -2.8311 1.7930 H 1 UNL1 0.1473 30 H 0.3213 -3.7752 -0.0086 H 1 UNL1 0.1681 31 H 1.6439 -2.9425 -0.8372 H 1 UNL1 0.1661 32 H 0.1794 -1.3176 -1.8224 H 1 UNL1 0.1688 33 H -2.1165 -2.1385 0.1258 H 1 UNL1 0.1464 34 H -0.8430 -2.0889 2.1313 H 1 UNL1 0.1318 35 H 0.1165 -0.5831 2.4218 H 1 UNL1 0.1563 36 H -1.5797 0.5059 -1.4422 H 1 UNL1 0.1492 37 H -2.5289 -0.8655 -2.1405 H 1 UNL1 0.1572 38 H 3.1284 -1.4290 2.8722 H 1 UNL1 0.1950 39 H 1.9242 1.2827 -2.9689 H 1 UNL1 0.2022 @BOND 1 39 23 1 2 24 3 1 3 37 18 1 4 23 11 ar 5 23 10 ar 6 3 15 1 7 32 15 1 8 11 22 ar 9 36 18 1 10 10 19 ar 11 18 4 1 12 18 16 1 13 15 16 1 14 15 14 1 15 31 14 1 16 27 12 1 17 4 1 1 18 7 1 2 19 22 12 1 20 22 21 ar 21 16 33 1 22 16 2 1 23 14 30 1 24 14 13 1 25 19 21 ar 26 19 8 ar 27 12 28 1 28 1 6 1 29 1 5 1 30 21 9 ar 31 2 17 1 32 6 26 1 33 8 13 1 34 8 20 ar 35 13 17 1 36 13 29 1 37 5 25 1 38 17 34 1 39 17 35 1 40 9 20 ar 41 20 38 1