@MOLECULE 8-oxo-7-propylguanosine 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -2.1696 -0.3013 0.9382 O.3 1 UNL1 -0.4064 2 O2* -2.6054 2.9813 0.1146 O.3 1 UNL1 -0.5459 3 O3* -4.7340 1.4637 0.3571 O.3 1 UNL1 -0.5277 4 O5* -2.7431 -2.6905 -0.2403 O.3 1 UNL1 -0.5628 5 O 0.4158 2.7888 -0.4024 O.2 1 UNL1 -0.5432 6 O 3.9498 -1.3544 -0.6589 O.2 1 UNL1 -0.4410 7 N -0.2156 0.5808 0.0186 N.ar 1 UNL1 -0.5263 8 N 1.9412 0.9891 -0.6053 N.ar 1 UNL1 -0.3350 9 N 0.0240 -1.8744 0.4215 N.ar 1 UNL1 -0.5156 10 N 2.2514 -2.7294 -0.0018 N.ar 1 UNL1 -0.6166 11 N 0.4969 -4.1886 0.5243 N.pl3 1 UNL1 -0.6099 12 C1* -1.5074 0.8967 0.6284 C.3 1 UNL1 0.2589 13 C2* -2.3768 1.6959 -0.3913 C.3 1 UNL1 0.0427 14 C3* -3.7165 0.9201 -0.4340 C.3 1 UNL1 0.0881 15 C4* -3.3468 -0.4666 0.1481 C.3 1 UNL1 0.0453 16 C 0.4895 -0.6221 0.0790 C.ar 1 UNL1 0.3189 17 C5* -3.0625 -1.4985 -0.9465 C.3 1 UNL1 -0.0509 18 C 0.7349 1.6265 -0.3031 C.ar 1 UNL1 0.6548 19 C 1.8146 -0.3809 -0.2903 C.ar 1 UNL1 -0.2271 20 C 3.2294 1.6794 -0.6221 C.3 1 UNL1 -0.0563 21 C 2.7886 -1.4692 -0.3553 C.ar 1 UNL1 0.6265 22 C 3.7757 1.9185 0.7967 C.3 1 UNL1 -0.2807 23 C 0.9871 -2.9079 0.3095 C.ar 1 UNL1 0.5795 24 C 5.1339 2.6084 0.7169 C.3 1 UNL1 -0.4333 25 H1* -1.3653 1.4256 1.6060 H 1 UNL1 0.1710 26 H2* -1.9040 1.7708 -1.3947 H 1 UNL1 0.1603 27 H3* -4.1557 0.8724 -1.4521 H 1 UNL1 0.1529 28 H4* -4.0972 -0.8366 0.8852 H 1 UNL1 0.1867 29 H5*1 -2.1921 -1.2217 -1.5707 H 1 UNL1 0.1374 30 H5*2 -3.9493 -1.6688 -1.5820 H 1 UNL1 0.1323 31 H2* -1.7558 3.4974 0.0597 H 1 UNL1 0.3625 32 H 3.9446 1.0483 -1.2097 H 1 UNL1 0.1801 33 H 3.0987 2.6446 -1.1650 H 1 UNL1 0.1584 34 H3* -4.3978 2.2156 0.9013 H 1 UNL1 0.3488 35 H -0.9817 -2.0421 0.5243 H 1 UNL1 0.3730 36 H 3.0651 2.5287 1.3849 H 1 UNL1 0.1443 37 H 3.8699 0.9509 1.3305 H 1 UNL1 0.1563 38 H5* -2.7257 -3.4533 -0.8535 H 1 UNL1 0.3258 39 H 5.8641 1.9956 0.1726 H 1 UNL1 0.1520 40 H 5.0683 3.5787 0.2121 H 1 UNL1 0.1423 41 H 5.5449 2.7876 1.7176 H 1 UNL1 0.1455 42 H 1.1838 -4.9253 0.6081 H 1 UNL1 0.3301 43 H -0.3437 -4.3051 1.0552 H 1 UNL1 0.3043 @BOND 1 30 17 1 2 29 17 1 3 27 14 1 4 26 13 1 5 32 20 1 6 33 20 1 7 17 4 1 8 17 15 1 9 38 4 1 10 6 21 2 11 20 8 1 12 20 22 1 13 8 18 ar 14 8 19 ar 15 14 13 1 16 14 15 1 17 14 3 1 18 5 18 2 19 13 2 1 20 13 12 1 21 21 19 ar 22 21 10 ar 23 18 7 ar 24 19 16 ar 25 10 23 ar 26 7 16 ar 27 7 12 1 28 31 2 1 29 16 9 ar 30 15 28 1 31 15 1 1 32 39 24 1 33 40 24 1 34 23 9 ar 35 23 11 1 36 3 34 1 37 9 35 1 38 11 42 1 39 11 43 1 40 12 1 1 41 12 25 1 42 24 22 1 43 24 41 1 44 22 37 1 45 22 36 1