@MOLECULE 3'-amino-3'-deoxyadenosine 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0502 -0.7657 0.9080 O.3 1 UNL111111111 -0.4233 2 O -1.3773 2.5542 0.1606 O.3 1 UNL111111111 -0.5453 3 O -2.6121 -2.8438 -0.7449 O.3 1 UNL111111111 -0.5137 4 N 0.2096 -0.3615 0.6227 N.ar 1 UNL111111111 -0.3841 5 N -3.9235 1.7282 0.2419 N.3 1 UNL111111111 -0.6122 6 N 1.8770 -1.9077 0.5743 N.ar 1 UNL111111111 -0.3336 7 N 1.5178 1.6236 -0.1045 N.ar 1 UNL111111111 -0.5543 8 N 3.8402 1.1037 -0.5362 N.ar 1 UNL111111111 -0.5701 9 N 4.7594 -1.0315 -0.3027 N.pl3 1 UNL111111111 -0.5446 10 C -2.9895 0.9081 -0.5337 C.3 1 UNL111111111 -0.0097 11 C -1.4866 1.2352 -0.2877 C.3 1 UNL111111111 0.0373 12 C -1.0905 0.2616 0.8622 C.3 1 UNL111111111 0.2399 13 C -3.0673 -0.5705 -0.0849 C.3 1 UNL111111111 0.0470 14 C -2.7996 -1.5391 -1.2451 C.3 1 UNL111111111 -0.0535 15 C 1.3496 0.3097 0.2072 C.ar 1 UNL111111111 0.2770 16 C 0.5893 -1.7096 0.8474 C.ar 1 UNL111111111 0.1479 17 C 2.3909 -0.6765 0.1733 C.ar 1 UNL111111111 -0.1918 18 C 3.6771 -0.2188 -0.2223 C.ar 1 UNL111111111 0.4708 19 C 2.7807 1.9431 -0.4624 C.ar 1 UNL111111111 0.3113 20 H -3.2469 1.0289 -1.6143 H 1 UNL111111111 0.1620 21 H -0.8741 1.0948 -1.2022 H 1 UNL111111111 0.1506 22 H -1.0959 0.7450 1.8735 H 1 UNL111111111 0.1721 23 H -4.0022 -0.8241 0.4621 H 1 UNL111111111 0.1795 24 H -1.9145 -1.2524 -1.8405 H 1 UNL111111111 0.1252 25 H -3.6798 -1.6359 -1.9088 H 1 UNL111111111 0.1543 26 H -3.8754 2.6998 -0.0375 H 1 UNL111111111 0.2655 27 H -3.7307 1.6822 1.2330 H 1 UNL111111111 0.2565 28 H -0.4073 2.7930 0.1701 H 1 UNL111111111 0.3626 29 H -0.1125 -2.4479 1.2081 H 1 UNL111111111 0.2051 30 H -1.8670 -2.8311 -0.1058 H 1 UNL111111111 0.3153 31 H 2.9750 2.9990 -0.7231 H 1 UNL111111111 0.2013 32 H 4.6748 -2.0039 -0.0719 H 1 UNL111111111 0.3301 33 H 5.6536 -0.6692 -0.5793 H 1 UNL111111111 0.3250 @BOND 1 1 12 1 2 1 13 1 3 2 11 1 4 2 28 1 5 3 14 1 6 3 30 1 7 4 12 1 8 4 15 ar 9 4 16 ar 10 5 10 1 11 5 26 1 12 5 27 1 13 6 16 ar 14 6 17 ar 15 7 15 ar 16 7 19 ar 17 8 18 ar 18 8 19 ar 19 9 18 1 20 9 32 1 21 9 33 1 22 10 11 1 23 10 13 1 24 10 20 1 25 11 12 1 26 11 21 1 27 12 22 1 28 13 14 1 29 13 23 1 30 14 24 1 31 14 25 1 32 15 17 ar 33 16 29 1 34 17 18 ar 35 19 31 1