@MOLECULE 6-chloro-9-(beta-l-ribofuranosyl)-9h-purine 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.4688 -1.3907 -0.3539 Cl 1 UNL1 0.0428 2 O4* 1.8213 0.6552 1.2507 O.3 1 UNL1 -0.3855 3 O2* 3.1183 2.3473 -1.0426 O.3 1 UNL1 -0.5277 4 O3* 3.1467 -1.0626 -1.2840 O.3 1 UNL1 -0.5785 5 O5* 3.6951 -2.4296 0.9783 O.3 1 UNL1 -0.5582 6 N 0.1077 0.5035 -0.3072 N.ar 1 UNL1 -0.3873 7 N -1.2141 -1.2692 -0.8811 N.ar 1 UNL1 -0.3221 8 N -1.6498 1.9446 0.7020 N.ar 1 UNL1 -0.4369 9 N -3.8386 0.9284 0.6302 N.ar 1 UNL1 -0.4472 10 C2* 2.3993 1.1420 -1.0233 C.3 1 UNL1 0.0636 11 C1* 1.3073 1.2396 0.0776 C.3 1 UNL1 0.2425 12 C3* 3.3817 0.0716 -0.4879 C.3 1 UNL1 0.1014 13 C4* 2.9853 -0.1269 0.9928 C.3 1 UNL1 -0.0055 14 C5* 2.6395 -1.5751 1.3711 C.3 1 UNL1 -0.0294 15 C -1.1808 0.8265 0.1046 C.ar 1 UNL1 0.2550 16 C 0.0274 -0.7982 -0.8782 C.ar 1 UNL1 0.1608 17 C -2.0109 -0.2970 -0.2780 C.ar 1 UNL1 -0.1053 18 C -3.3697 -0.1688 0.0271 C.ar 1 UNL1 0.2404 19 C -2.9746 1.9389 0.9429 C.ar 1 UNL1 0.2507 20 H2* 2.0106 0.8913 -2.0316 H 1 UNL1 0.1637 21 H1* 1.0355 2.2867 0.3788 H 1 UNL1 0.1955 22 H3* 4.4415 0.3785 -0.6166 H 1 UNL1 0.1565 23 H4* 3.7488 0.3041 1.6775 H 1 UNL1 0.1515 24 H5*1 1.7680 -1.9632 0.8073 H 1 UNL1 0.1643 25 H5*2 2.4358 -1.6779 2.4511 H 1 UNL1 0.1397 26 H2* 2.6916 3.0028 -1.6355 H 1 UNL1 0.3284 27 H3* 3.5305 -1.8669 -0.8540 H 1 UNL1 0.3623 28 H 0.9051 -1.2996 -1.2840 H 1 UNL1 0.2278 29 H5* 4.4763 -2.3188 1.5555 H 1 UNL1 0.3246 30 H -3.4096 2.8258 1.4361 H 1 UNL1 0.2118 @BOND 1 20 10 1 2 26 3 1 3 4 27 1 4 4 12 1 5 28 16 1 6 3 10 1 7 10 12 1 8 10 11 1 9 7 16 ar 10 7 17 ar 11 16 6 ar 12 22 12 1 13 12 13 1 14 1 18 1 15 6 11 1 16 6 15 ar 17 17 18 ar 18 17 15 ar 19 18 9 ar 20 11 21 1 21 11 2 1 22 15 8 ar 23 9 19 ar 24 8 19 ar 25 24 14 1 26 19 30 1 27 5 14 1 28 5 29 1 29 13 2 1 30 13 14 1 31 13 23 1 32 14 25 1