@MOLECULE 9-(5,6-dideoxy-beta-d-lyxo-hex-5-ynofuranosyl)-9h-purin-6-amine 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.8055 0.8522 -1.2356 O.3 1 UNL1 -0.3973 2 O 3.0797 1.0520 1.6340 O.3 1 UNL1 -0.5450 3 O 3.9499 -0.9913 0.3544 O.3 1 UNL1 -0.5333 4 N -0.0724 1.2705 0.0625 N.ar 1 UNL1 -0.3859 5 N -2.1442 1.8591 -0.7038 N.ar 1 UNL1 -0.3347 6 N -0.6959 -0.9048 1.1144 N.ar 1 UNL1 -0.5338 7 N -3.0535 -1.4110 0.9102 N.ar 1 UNL1 -0.5710 8 N -4.5841 -0.0130 -0.1725 N.pl3 1 UNL1 -0.5497 9 C 1.3859 1.2704 0.0427 C.3 1 UNL1 0.2636 10 C 2.0207 0.3077 1.0769 C.3 1 UNL1 0.0407 11 C 2.5624 -0.8786 0.2306 C.3 1 UNL1 0.0798 12 C 2.1676 -0.5341 -1.2324 C.3 1 UNL1 0.0905 13 C -0.9356 0.2399 0.4242 C.ar 1 UNL1 0.3062 14 C -0.8670 2.2138 -0.6572 C.ar 1 UNL1 0.1514 15 C -2.2351 0.6333 -0.0440 C.ar 1 UNL1 -0.2058 16 C 1.0781 -1.3345 -1.7178 C.1 1 UNL1 -0.1320 17 C -3.3087 -0.2539 0.2245 C.ar 1 UNL1 0.4660 18 C -1.7891 -1.6721 1.3168 C.ar 1 UNL1 0.3038 19 C 0.1601 -2.0007 -2.1395 C.1 1 UNL1 -0.1475 20 H 3.6015 0.4832 2.2468 H 1 UNL1 0.3378 21 H 4.3945 -0.1371 0.1378 H 1 UNL1 0.3302 22 H -5.3172 -0.6604 0.0415 H 1 UNL1 0.3232 23 H -4.8009 0.8278 -0.6742 H 1 UNL1 0.3296 24 H 1.7620 2.3244 0.1335 H 1 UNL1 0.1839 25 H 1.3351 -0.0119 1.8903 H 1 UNL1 0.1809 26 H 2.1858 -1.8668 0.5699 H 1 UNL1 0.1784 27 H 3.0515 -0.5649 -1.9210 H 1 UNL1 0.1779 28 H -0.4354 3.1078 -1.0826 H 1 UNL1 0.2018 29 H -1.6393 -2.6160 1.8704 H 1 UNL1 0.2005 30 H -0.6226 -2.5681 -2.4940 H 1 UNL1 0.1897 @BOND 1 30 19 1 2 19 16 3 3 27 12 1 4 16 12 1 5 1 12 1 6 1 9 1 7 12 11 1 8 28 14 1 9 5 14 ar 10 5 15 ar 11 23 8 1 12 14 4 ar 13 8 22 1 14 8 17 1 15 15 17 ar 16 15 13 ar 17 9 4 1 18 9 24 1 19 9 10 1 20 4 13 ar 21 21 3 1 22 17 7 ar 23 11 3 1 24 11 26 1 25 11 10 1 26 13 6 ar 27 7 18 ar 28 10 2 1 29 10 25 1 30 6 18 ar 31 18 29 1 32 2 20 1