@MOLECULE FDBD00842 23 23 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2392 1.9626 0.0548 O.3 1 UNK -0.5033 2 O1 -3.3557 -0.5612 0.3868 O.3 1 UNK -0.5033 3 N 4.4081 0.2624 0.3445 N.4 1 UNK 0.2188 4 C 2.1628 -0.0212 -0.6613 C.3 1 UNK 0.0127 5 C1 0.7040 -0.1603 -0.3850 C.ar 1 UNK -0.0387 6 C2 2.9862 0.1008 0.6289 C.3 1 UNK -0.0313 7 C3 -0.0999 0.9759 -0.2919 C.ar 1 UNK -0.0132 8 C4 0.1434 -1.4267 -0.2187 C.ar 1 UNK -0.0547 9 C5 -1.4642 0.8456 -0.0326 C.ar 1 UNK 0.1585 10 C6 -1.2209 -1.5570 0.0407 C.ar 1 UNK -0.0163 11 C7 -2.0247 -0.4208 0.1336 C.ar 1 UNK 0.1582 12 H -1.8547 2.8096 -0.0581 H 1 UNK 0.2923 13 H1 -3.9029 0.1967 0.4508 H 1 UNK 0.2923 14 H2 4.9235 0.3401 1.2213 H 1 UNK 0.1994 15 H3 4.5502 1.1070 -0.2094 H 1 UNK 0.1994 16 H4 4.7446 -0.5469 -0.1771 H 1 UNK 0.1994 17 H5 2.3195 0.8553 -1.2547 H 1 UNK 0.0365 18 H6 2.4859 -0.9017 -1.1763 H 1 UNK 0.0365 19 H7 2.6435 0.9511 1.1806 H 1 UNK 0.0816 20 H8 2.8578 -0.7984 1.1945 H 1 UNK 0.0816 21 H9 0.3148 1.9129 -0.4149 H 1 UNK 0.0658 22 H10 0.7381 -2.2673 -0.2876 H 1 UNK 0.0621 23 H11 -1.6356 -2.4940 0.1639 H 1 UNK 0.0655 @BOND 1 1 9 1 2 2 11 1 3 3 6 1 4 4 5 1 5 4 6 1 6 5 7 ar 7 5 8 ar 8 7 9 ar 9 8 10 ar 10 9 11 ar 11 10 11 ar 12 1 12 1 13 2 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 6 19 1 20 6 20 1 21 7 21 1 22 8 22 1 23 10 23 1