@MOLECULE 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-1h-imidazo[2,1-b]purin-4(5h)-one 34 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -2.5309 -0.0228 1.0847 O.3 1 UNL1 -0.4107 2 O3* -3.7130 2.3035 -0.9807 O.3 1 UNL1 -0.5422 3 O5* -4.4490 -1.9789 0.2736 O.3 1 UNL1 -0.5174 4 O 3.5231 -2.7230 -0.7023 O.2 1 UNL1 -0.3997 5 N -0.3137 -0.4042 0.5709 N.ar 1 UNL1 -0.3677 6 N 1.8220 0.8950 0.2314 N.ar 1 UNL1 -0.2873 7 N 0.5619 -2.4529 0.1277 N.ar 1 UNL1 -0.2669 8 N 3.7094 -0.5004 -0.4457 N.ar 1 UNL1 -0.5579 9 N 3.8264 1.9246 -0.0522 N.ar 1 UNL1 -0.4252 10 C1* -1.3130 0.6386 0.8739 C.3 1 UNL1 0.3154 11 C2* -1.4892 1.6194 -0.2960 C.3 1 UNL1 -0.4101 12 C3* -2.8207 1.2142 -0.9570 C.3 1 UNL1 0.1280 13 C4* -3.4547 0.1990 0.0126 C.3 1 UNL1 0.0318 14 C 1.0242 -0.2231 0.2704 C.ar 1 UNL1 0.2110 15 C5* -3.7548 -1.1541 -0.6333 C.3 1 UNL1 -0.0489 16 C -0.5460 -1.8006 0.4820 C.ar 1 UNL1 0.1086 17 C 1.5604 -1.5067 -0.0197 C.ar 1 UNL1 -0.1403 18 C 3.1984 0.7351 -0.1146 C.ar 1 UNL1 0.4181 19 C 2.9434 -1.7121 -0.4067 C.ar 1 UNL1 0.6109 20 C 1.6371 2.2528 0.5470 C.ar 1 UNL1 -0.1843 21 C 2.8734 2.8566 0.3550 C.ar 1 UNL1 0.0166 22 H1* -1.0585 1.1078 1.8590 H 1 UNL1 0.1663 23 H2*1 -0.6491 1.5995 -1.0108 H 1 UNL1 0.1778 24 H2*2 -1.5572 2.6629 0.0730 H 1 UNL1 0.1869 25 H3* -2.6894 0.8250 -1.9868 H 1 UNL1 0.1334 26 H4* -4.3570 0.6199 0.5228 H 1 UNL1 0.1884 27 H5*1 -4.4632 -1.0542 -1.4803 H 1 UNL1 0.1594 28 H5*2 -2.8427 -1.6756 -0.9768 H 1 UNL1 0.1339 29 H -1.5054 -2.2417 0.7051 H 1 UNL1 0.2083 30 H3* -3.4749 2.9420 -1.6838 H 1 UNL1 0.3244 31 H 0.7069 2.6535 0.8755 H 1 UNL1 0.1767 32 H 4.6985 -0.5512 -0.7046 H 1 UNL1 0.3570 33 H5* -3.9582 -2.0363 1.1227 H 1 UNL1 0.3191 34 H 3.1548 3.8880 0.4806 H 1 UNL1 0.1866 @BOND 1 25 12 1 2 30 2 1 3 27 15 1 4 23 11 1 5 2 12 1 6 28 15 1 7 12 11 1 8 12 13 1 9 32 8 1 10 4 19 2 11 15 13 1 12 15 3 1 13 8 19 ar 14 8 18 ar 15 19 17 ar 16 11 24 1 17 11 10 1 18 18 9 ar 19 18 6 ar 20 9 21 ar 21 17 7 ar 22 17 14 ar 23 13 26 1 24 13 1 1 25 7 16 ar 26 6 14 ar 27 6 20 ar 28 14 5 ar 29 3 33 1 30 21 34 1 31 21 20 ar 32 16 5 ar 33 16 29 1 34 20 31 1 35 5 10 1 36 10 1 1 37 10 22 1