@MOLECULE sulfadoxine 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.2673 -1.8183 -0.4558 S.O2 1 UNL111111111 2.4052 2 O 1.6221 -2.9463 0.3784 O.2 1 UNL111111111 -0.9136 3 O 1.0916 -1.9790 -1.8723 O.2 1 UNL111111111 -0.8688 4 O -2.9020 -1.1539 1.2603 O.3 1 UNL111111111 -0.2706 5 O -4.3721 1.0942 0.4785 O.3 1 UNL111111111 -0.2752 6 N -0.3275 -1.4360 0.2343 N.pl3 1 UNL111111111 -0.7844 7 N -0.5362 0.6285 -0.8693 N.ar 1 UNL111111111 -0.5672 8 N 4.7518 2.7648 0.8078 N.pl3 1 UNL111111111 -0.6351 9 N -2.5501 1.9210 -0.7325 N.ar 1 UNL111111111 -0.5795 10 C 2.2852 -0.4752 -0.0895 C.ar 1 UNL111111111 -0.5156 11 C -1.0940 -0.3523 -0.0898 C.ar 1 UNL111111111 0.4447 12 C 2.9858 -0.4391 1.1217 C.ar 1 UNL111111111 0.0459 13 C 2.4171 0.5801 -1.0003 C.ar 1 UNL111111111 0.0813 14 C -2.4235 -0.2144 0.3964 C.ar 1 UNL111111111 -0.1800 15 C 3.8045 0.6325 1.4334 C.ar 1 UNL111111111 -0.3545 16 C 3.2317 1.6632 -0.7127 C.ar 1 UNL111111111 -0.3589 17 C 3.9319 1.6990 0.5133 C.ar 1 UNL111111111 0.3394 18 C -3.1127 0.9567 0.0424 C.ar 1 UNL111111111 0.4072 19 C -1.2844 1.7097 -1.1551 C.ar 1 UNL111111111 0.3043 20 C -3.9366 -1.9552 0.6842 C.3 1 UNL111111111 -0.2229 21 C -5.0545 2.2953 0.0983 C.3 1 UNL111111111 -0.1865 22 H -0.7693 -2.1364 0.8396 H 1 UNL111111111 0.3458 23 H 2.8976 -1.2651 1.8410 H 1 UNL111111111 0.1681 24 H 1.8659 0.5635 -1.9530 H 1 UNL111111111 0.1791 25 H 4.3440 0.6569 2.3727 H 1 UNL111111111 0.1587 26 H 3.3281 2.4784 -1.4199 H 1 UNL111111111 0.1593 27 H -0.8269 2.4888 -1.7863 H 1 UNL111111111 0.1923 28 H 5.2214 2.8295 1.6828 H 1 UNL111111111 0.3052 29 H 4.8236 3.5454 0.1951 H 1 UNL111111111 0.3047 30 H -4.1622 -2.6640 1.4900 H 1 UNL111111111 0.1516 31 H -3.5804 -2.4731 -0.2099 H 1 UNL111111111 0.1333 32 H -4.8135 -1.3409 0.4562 H 1 UNL111111111 0.1392 33 H -6.0282 2.1604 0.5837 H 1 UNL111111111 0.1484 34 H -5.1467 2.3573 -0.9911 H 1 UNL111111111 0.1485 35 H -4.5286 3.1753 0.4844 H 1 UNL111111111 0.1504 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 10 1 5 4 14 1 6 4 20 1 7 5 18 1 8 5 21 1 9 6 11 1 10 6 22 1 11 7 11 ar 12 7 19 ar 13 8 17 1 14 8 28 1 15 8 29 1 16 9 18 ar 17 9 19 ar 18 10 12 ar 19 10 13 ar 20 11 14 ar 21 12 15 ar 22 12 23 1 23 13 16 ar 24 13 24 1 25 14 18 ar 26 15 17 ar 27 15 25 1 28 16 17 ar 29 16 26 1 30 19 27 1 31 20 30 1 32 20 31 1 33 20 32 1 34 21 33 1 35 21 34 1 36 21 35 1