@MOLECULE 9-(2-deoxy-beta-d-erythro-pentofuranosyl)-6-[(diethylcarbamoyl)oxy]-9h-purin-2-amine 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -4.0985 0.4503 -0.9947 O.3 1 UNL1111 -0.4283 2 O3* -6.2579 -1.3370 0.7197 O.3 1 UNL1111 -0.5405 3 O5* -4.7769 3.0383 -0.3489 O.3 1 UNL1111 -0.5251 4 O 2.6398 0.4898 0.1914 O.3 1 UNL1111 -0.3697 5 O 3.8921 -0.8530 1.5660 O.2 1 UNL1111 -0.4635 6 N -1.9193 -0.0103 -0.3476 N.ar 1 UNL1111 -0.4017 7 N -0.2418 1.4829 0.0403 N.ar 1 UNL1111 -0.2907 8 N -0.5758 -2.0705 -0.5369 N.ar 1 UNL1111 -0.5860 9 N 1.8274 -1.6412 -0.2331 N.ar 1 UNL1111 -0.5964 10 N 4.9053 0.5656 0.0368 N.am 1 UNL1111 -0.4697 11 N 1.0183 -3.7792 -0.6967 N.pl3 1 UNL1111 -0.5624 12 C1* -3.2408 -0.5922 -0.5899 C.3 1 UNL1111 0.3256 13 C3* -5.1495 -0.5081 0.9384 C.3 1 UNL1111 0.1292 14 C2* -3.8264 -1.2409 0.6766 C.3 1 UNL1111 -0.4041 15 C4* -5.1465 0.6747 -0.0512 C.3 1 UNL1111 -0.0009 16 C5* -4.8933 2.0249 0.6250 C.3 1 UNL1111 -0.0459 17 C -0.7417 -0.7407 -0.3528 C.ar 1 UNL1111 0.3159 18 C -1.5525 1.3462 -0.1154 C.ar 1 UNL1111 0.1274 19 C 0.3114 0.2119 -0.0919 C.ar 1 UNL1111 -0.2063 20 C 1.6105 -0.3376 -0.0213 C.ar 1 UNL1111 0.5428 21 C 0.7373 -2.4617 -0.4782 C.ar 1 UNL1111 0.5767 22 C 3.8594 -0.0370 0.6867 C.2 1 UNL1111 0.7107 23 C 4.6657 1.6770 -0.8967 C.3 1 UNL1111 -0.0360 24 C 6.2316 0.4909 0.6799 C.3 1 UNL1111 -0.0466 25 C 4.2439 2.9662 -0.1876 C.3 1 UNL1111 -0.4790 26 C 7.2286 -0.1808 -0.2696 C.3 1 UNL1111 -0.4578 27 H1* -3.1723 -1.2817 -1.4731 H 1 UNL1111 0.1688 28 H3* -5.2895 -0.2079 1.9991 H 1 UNL1111 0.1600 29 H2*1 -3.9852 -2.3271 0.5416 H 1 UNL1111 0.1853 30 H2*2 -3.1369 -1.1674 1.5379 H 1 UNL1111 0.1853 31 H4* -6.0628 0.7059 -0.6842 H 1 UNL1111 0.1702 32 H5*1 -5.7565 2.3488 1.2377 H 1 UNL1111 0.1537 33 H5*2 -3.9806 2.0224 1.2483 H 1 UNL1111 0.1300 34 H3* -6.2570 -1.7183 -0.1829 H 1 UNL1111 0.3213 35 H -2.2837 2.1384 -0.0904 H 1 UNL1111 0.1988 36 H5* -4.1783 2.7376 -1.0699 H 1 UNL1111 0.3237 37 H 3.8756 1.3627 -1.6228 H 1 UNL1111 0.1608 38 H 5.5939 1.8388 -1.4890 H 1 UNL1111 0.1370 39 H 6.1603 -0.0982 1.6272 H 1 UNL1111 0.1630 40 H 6.5799 1.5096 0.9598 H 1 UNL1111 0.1322 41 H 1.9582 -4.1077 -0.5800 H 1 UNL1111 0.3296 42 H 0.2769 -4.4364 -0.8245 H 1 UNL1111 0.3226 43 H 4.0920 3.7782 -0.9077 H 1 UNL1111 0.1543 44 H 4.9856 3.3001 0.5434 H 1 UNL1111 0.1439 45 H 3.2882 2.8340 0.3451 H 1 UNL1111 0.1803 46 H 8.1976 -0.3253 0.2206 H 1 UNL1111 0.1484 47 H 7.3942 0.4087 -1.1775 H 1 UNL1111 0.1473 48 H 6.8648 -1.1684 -0.5871 H 1 UNL1111 0.1660 @BOND 1 1 12 1 2 1 15 1 3 2 13 1 4 2 34 1 5 3 16 1 6 3 36 1 7 4 20 1 8 4 22 1 9 5 22 2 10 6 12 1 11 6 17 ar 12 6 18 ar 13 7 18 ar 14 7 19 ar 15 8 17 ar 16 8 21 ar 17 9 20 ar 18 9 21 ar 19 10 22 am 20 10 23 1 21 10 24 1 22 11 21 1 23 11 41 1 24 11 42 1 25 12 14 1 26 12 27 1 27 13 14 1 28 13 15 1 29 13 28 1 30 14 29 1 31 14 30 1 32 15 16 1 33 15 31 1 34 16 32 1 35 16 33 1 36 17 19 ar 37 18 35 1 38 19 20 ar 39 23 25 1 40 23 37 1 41 23 38 1 42 24 26 1 43 24 39 1 44 24 40 1 45 25 43 1 46 25 44 1 47 25 45 1 48 26 46 1 49 26 47 1 50 26 48 1