@MOLECULE (2-~13~c)inosine 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 2.0138 -0.5884 -0.9731 O.3 1 I1 -0.3990 2 O2* 1.1677 2.6334 -0.0369 O.3 1 I1 -0.5445 3 O3* 3.6664 1.8800 -0.0139 O.3 1 I1 -0.5318 4 O5* 3.5372 -2.7280 0.3291 O.3 1 I1 -0.5142 5 O6 -4.7046 -1.2656 0.4266 O.2 1 I1 -0.3635 6 N9 -0.2436 -0.3681 -0.5075 N.ar 1 I1 -0.3948 7 N3 -1.7888 1.5682 -0.1346 N.ar 1 I1 -0.5187 8 N7 -1.7586 -2.0326 -0.2405 N.ar 1 I1 -0.2770 9 N1 -4.0385 0.9129 0.3398 N.ar 1 I1 -0.5359 10 C2* 1.3653 1.3124 0.3600 C.3 1 I1 0.0341 11 C1* 0.9865 0.3538 -0.8122 C.3 1 I1 0.2398 12 C3* 2.8429 0.9602 0.6677 C.3 1 I1 0.0509 13 C4* 3.0592 -0.4013 -0.0137 C.3 1 I1 0.0287 14 C5* 3.0092 -1.5846 0.9588 C.3 1 I1 -0.0464 15 C4 -1.4674 0.2289 -0.2333 C.ar 1 I1 0.2091 16 C8 -0.4818 -1.7684 -0.5117 C.ar 1 I1 0.1059 17 C5 -2.4033 -0.8191 -0.0625 C.ar 1 I1 -0.1603 18 C6 -3.7974 -0.5025 0.2483 C.ar 1 I1 0.5953 19 C2 -3.1448 1.8267 0.1752 C.ar 1 I1 0.3156 20 H1* 0.8916 0.8759 -1.8005 H 1 I1 0.1721 21 H2* 0.7088 1.2000 1.2513 H 1 I1 0.1708 22 H3* 3.0716 0.9615 1.7496 H 1 I1 0.1437 23 H4* 3.9874 -0.4174 -0.6370 H 1 I1 0.1922 24 H5*1 1.9805 -1.7929 1.3077 H 1 I1 0.1381 25 H5*2 3.6791 -1.4435 1.8287 H 1 I1 0.1541 26 H2* 1.9056 2.9383 -0.6267 H 1 I1 0.3522 27 H8 0.2994 -2.4798 -0.7191 H 1 I1 0.2013 28 H3* 3.9631 2.5972 0.5877 H 1 I1 0.3288 29 H3 -1.0741 2.2814 -0.1920 H 1 I1 0.3422 30 H5* 2.9984 -2.9531 -0.4621 H 1 I1 0.3204 31 H2 -3.4000 2.8966 0.2594 H 1 I1 0.1910 @BOND 1 20 11 1 2 1 11 1 3 1 13 1 4 11 6 1 5 11 10 1 6 27 16 1 7 23 13 1 8 26 2 1 9 16 6 ar 10 16 8 ar 11 6 15 ar 12 30 4 1 13 8 17 ar 14 15 7 ar 15 15 17 ar 16 29 7 1 17 7 19 ar 18 17 18 ar 19 2 10 1 20 3 28 1 21 3 12 1 22 13 12 1 23 13 14 1 24 19 31 1 25 19 9 ar 26 18 9 ar 27 18 5 2 28 4 14 1 29 10 12 1 30 10 21 1 31 12 22 1 32 14 24 1 33 14 25 1