@MOLECULE FDBD00474 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.5685 -2.0692 -0.3566 S.2 1 UNK -0.0352 2 N -1.6344 1.3058 -0.0017 N.ar 1 UNK -0.2599 3 N1 3.2912 0.3920 0.3327 N.am 1 UNK -0.3518 4 C -2.6654 -0.7939 0.6221 C.3 1 UNK -0.0132 5 C1 -1.4446 0.0008 0.2964 C.ar 1 UNK 0.0417 6 C2 -0.2054 -0.6187 0.3135 C.ar 1 UNK -0.0310 7 C3 0.9111 0.1505 0.0048 C.ar 1 UNK 0.0060 8 C4 -3.2863 -1.4354 -0.6155 C.3 1 UNK -0.0598 9 C5 0.7562 1.4966 -0.3072 C.ar 1 UNK -0.0341 10 C6 -0.5260 2.0216 -0.2965 C.ar 1 UNK 0.0285 11 C7 2.2351 -0.4500 0.0081 C.2 1 UNK 0.0769 12 H 4.2114 0.0426 0.3516 H 1 UNK 0.1428 13 H1 3.1194 1.3381 0.5439 H 1 UNK 0.1428 14 H2 -3.3877 -0.1458 1.0728 H 1 UNK 0.0326 15 H3 -2.3762 -1.5799 1.2880 H 1 UNK 0.0326 16 H4 -0.1139 -1.6195 0.5480 H 1 UNK 0.0642 17 H5 -3.5859 -0.6707 -1.3013 H 1 UNK 0.0233 18 H6 -4.1409 -2.0114 -0.3279 H 1 UNK 0.0233 19 H7 -2.5674 -2.0739 -1.0850 H 1 UNK 0.0233 20 H8 1.5707 2.0862 -0.5395 H 1 UNK 0.0639 21 H9 -0.6421 3.0206 -0.5278 H 1 UNK 0.0830 @BOND 1 1 11 2 2 2 5 ar 3 2 10 ar 4 3 11 1 5 4 5 1 6 4 8 1 7 5 6 ar 8 6 7 ar 9 7 9 ar 10 7 11 1 11 9 10 ar 12 3 12 1 13 3 13 1 14 4 14 1 15 4 15 1 16 6 16 1 17 8 17 1 18 8 18 1 19 8 19 1 20 9 20 1 21 10 21 1