@MOLECULE 9-(2-deoxy-5-o-phosphonopentofuranosyl)-n-(2-hydroxy-1-phenylethyl)-9h-purin-6-amine 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 2.8003 -2.6757 -0.0393 P.3 1 UNL1 0.3197 2 O 3.6999 0.4363 -1.0569 O.3 1 UNL1 -0.4402 3 O 5.5898 2.3639 0.8134 O.3 1 UNL1 -0.5570 4 O 3.7524 -1.7850 0.8903 O.3 1 UNL1 -0.2299 5 O 2.7926 -2.0656 -1.4988 O.3 1 UNL1 -0.3172 6 O 1.3357 -2.3002 0.5043 O.3 1 UNL1 -0.4259 7 O 3.2176 -4.0669 0.0173 O.2 1 UNL1 -0.2157 8 O -2.8619 -2.0157 0.9464 O.3 1 UNL1 -0.5357 9 N 1.6214 1.4160 -1.3379 N.ar 1 UNL1 -0.3986 10 N -0.4022 0.5890 -2.0019 N.ar 1 UNL1 -0.3202 11 N 1.0216 1.9346 1.0322 N.ar 1 UNL1 -0.5425 12 N -2.7734 0.5007 -0.0434 N.pl3 1 UNL1 -0.4599 13 N -1.2767 1.3781 1.5617 N.ar 1 UNL1 -0.5763 14 C 3.0647 1.6406 -1.4139 C.3 1 UNL1 0.3197 15 C 4.2383 1.9753 0.6929 C.3 1 UNL1 0.1291 16 C 3.5694 2.7351 -0.4700 C.3 1 UNL1 -0.3899 17 C 4.2752 0.4950 0.2510 C.3 1 UNL1 0.0648 18 C 3.4836 -0.4120 1.2014 C.3 1 UNL1 -0.0802 19 C 0.7844 1.4871 -0.2299 C.ar 1 UNL1 0.3105 20 C 0.8466 0.8238 -2.3806 C.ar 1 UNL1 0.1390 21 C -0.4864 0.9852 -0.6685 C.ar 1 UNL1 -0.2080 22 C -1.5367 0.9452 0.2876 C.ar 1 UNL1 0.4491 23 CA -3.8033 0.2461 0.9744 C.3 1 UNL1 0.0313 24 C -0.0430 1.8481 1.8590 C.ar 1 UNL1 0.2995 25 C -5.1380 0.1248 0.2808 C.ar 1 UNL1 -0.0581 26 C -3.4459 -1.0413 1.7770 C.3 1 UNL1 -0.0306 27 C -6.0499 1.1777 0.3680 C.ar 1 UNL1 -0.1411 28 C -5.4662 -1.0236 -0.4408 C.ar 1 UNL1 -0.1372 29 C -7.2884 1.0803 -0.2628 C.ar 1 UNL1 -0.1546 30 C -6.7087 -1.1212 -1.0633 C.ar 1 UNL1 -0.1539 31 C -7.6194 -0.0697 -0.9772 C.ar 1 UNL1 -0.1374 32 H 5.6685 3.2060 1.3008 H 1 UNL1 0.3191 33 H 2.8214 -1.0394 -1.4304 H 1 UNL1 0.3303 34 H 0.8068 -3.1608 0.6383 H 1 UNL1 0.3309 35 H -1.9825 -1.7122 0.6301 H 1 UNL1 0.3228 36 H -2.9347 0.1414 -0.9829 H 1 UNL1 0.3440 37 H 3.3430 1.7908 -2.4890 H 1 UNL1 0.1563 38 H 3.7168 2.1362 1.6581 H 1 UNL1 0.1434 39 H 2.7619 3.3997 -0.1128 H 1 UNL1 0.1857 40 H 4.3075 3.3830 -0.9788 H 1 UNL1 0.1764 41 H 5.3178 0.1282 0.0904 H 1 UNL1 0.1829 42 H 3.9062 -0.3554 2.2318 H 1 UNL1 0.1500 43 H 2.4167 -0.1220 1.2567 H 1 UNL1 0.1574 44 H 1.2665 0.6173 -3.3541 H 1 UNL1 0.2017 45 HA -3.8122 1.1130 1.6981 H 1 UNL1 0.1777 46 H 0.1061 2.1929 2.8973 H 1 UNL1 0.1955 47 H1 -2.7582 -0.8038 2.6090 H 1 UNL1 0.1385 48 H2 -4.3542 -1.5366 2.1646 H 1 UNL1 0.1507 49 H -5.7978 2.0787 0.9260 H 1 UNL1 0.1545 50 H -4.7524 -1.8503 -0.5068 H 1 UNL1 0.1789 51 H -7.9967 1.9037 -0.1993 H 1 UNL1 0.1493 52 H -6.9697 -2.0221 -1.6156 H 1 UNL1 0.1527 53 H -8.5871 -0.1466 -1.4683 H 1 UNL1 0.1489 @BOND 1 44 20 1 2 37 14 1 3 20 10 ar 4 20 9 ar 5 10 21 ar 6 52 30 1 7 5 33 1 8 5 1 1 9 53 31 1 10 14 9 1 11 14 2 1 12 14 16 1 13 9 19 ar 14 30 31 ar 15 30 28 ar 16 2 17 1 17 36 12 1 18 40 16 1 19 31 29 ar 20 21 19 ar 21 21 22 ar 22 50 28 1 23 16 39 1 24 16 15 1 25 28 25 ar 26 29 51 1 27 29 27 ar 28 19 11 ar 29 12 22 1 30 12 23 1 31 1 7 2 32 1 6 1 33 1 4 1 34 41 17 1 35 17 15 1 36 17 18 1 37 25 27 ar 38 25 23 1 39 22 13 ar 40 27 49 1 41 6 34 1 42 35 8 1 43 15 3 1 44 15 38 1 45 3 32 1 46 4 18 1 47 8 26 1 48 23 45 1 49 23 26 1 50 11 24 ar 51 18 43 1 52 18 42 1 53 13 24 ar 54 26 48 1 55 26 47 1 56 24 46 1