@MOLECULE FDBD00916 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3636 3.0246 0.2970 O.3 1 UNK -0.3798 2 O1 3.7267 0.6738 0.6109 O.2 1 UNK -0.2761 3 N -2.0703 -2.3711 -0.3715 N.4 1 UNK 0.2296 4 N1 2.3445 -0.6100 -0.7547 N.am 1 UNK -0.3155 5 C -0.1101 -1.7944 0.4955 C.3 1 UNK 0.0086 6 C1 -0.8590 -0.6075 0.2605 C.3 1 UNK 0.0120 7 C2 1.2503 -1.8778 1.0635 C.3 1 UNK -0.0293 8 C3 -2.0848 -0.9972 -0.2836 C.3 1 UNK -0.0192 9 C4 -0.8813 -2.8618 0.0970 C.3 1 UNK -0.0300 10 C5 2.3739 -1.8247 0.0151 C.3 1 UNK 0.0120 11 C6 -0.6110 0.7654 0.4590 C.3 1 UNK -0.0182 12 C7 -3.0788 -0.0792 -0.6406 C.3 1 UNK -0.0071 13 C8 -1.5962 1.6950 0.1067 C.3 1 UNK 0.0590 14 C9 -2.8103 1.2770 -0.4346 C.3 1 UNK -0.0215 15 C10 3.0269 0.5423 -0.3899 C.2 1 UNK 0.2099 16 C11 2.8456 1.6577 -1.3843 C.3 1 UNK 0.0121 17 C12 -0.1024 3.3879 0.8542 C.3 1 UNK 0.0368 18 H -2.1884 -2.6477 -1.3461 H 1 UNK 0.2016 19 H1 -2.8318 -2.7489 0.1922 H 1 UNK 0.2016 20 H2 1.8129 -0.5952 -1.5832 H 1 UNK 0.1487 21 H3 0.8751 -1.8051 0.9129 H 1 UNK 0.0358 22 H4 -0.0731 0.0147 0.6349 H 1 UNK 0.0361 23 H5 1.3345 -2.8000 1.5995 H 1 UNK 0.0285 24 H6 1.3747 -1.0209 1.6921 H 1 UNK 0.0285 25 H7 -3.0297 -0.6634 -0.6587 H 1 UNK 0.0853 26 H8 -0.3804 -3.4025 -0.6787 H 1 UNK 0.0817 27 H9 -1.0504 -3.5263 0.9184 H 1 UNK 0.0817 28 H10 3.3165 -1.8913 0.5171 H 1 UNK 0.0462 29 H11 2.2318 -2.6433 -0.6591 H 1 UNK 0.0462 30 H12 0.2651 1.0095 -0.1047 H 1 UNK 0.0295 31 H13 -0.5403 0.8601 1.5225 H 1 UNK 0.0295 32 H14 -3.9556 -0.3213 -0.0771 H 1 UNK 0.0321 33 H15 -3.1735 -0.1797 -1.7017 H 1 UNK 0.0321 34 H16 -1.8868 0.6971 -0.1477 H 1 UNK 0.0596 35 H17 -3.5758 1.6429 0.2173 H 1 UNK 0.0292 36 H18 -2.7678 1.6621 -1.4320 H 1 UNK 0.0292 37 H19 3.3897 2.5190 -1.0572 H 1 UNK 0.0322 38 H20 1.8065 1.9006 -1.4623 H 1 UNK 0.0322 39 H21 3.2118 1.3463 -2.3402 H 1 UNK 0.0322 40 H22 -0.0484 4.4522 0.9508 H 1 UNK 0.0524 41 H23 0.6827 3.0478 0.2117 H 1 UNK 0.0524 42 H24 0.0050 2.9364 1.8183 H 1 UNK 0.0524 @BOND 1 1 13 1 2 1 17 1 3 2 15 2 4 3 8 1 5 3 9 1 6 4 10 1 7 4 15 am 8 5 6 1 9 5 7 1 10 5 9 1 11 6 8 1 12 6 11 1 13 7 10 1 14 8 12 1 15 11 13 1 16 12 14 1 17 13 14 1 18 15 16 1 19 3 18 1 20 3 19 1 21 4 20 1 22 5 21 1 23 6 22 1 24 7 23 1 25 7 24 1 26 8 25 1 27 9 26 1 28 9 27 1 29 10 28 1 30 10 29 1 31 11 30 1 32 11 31 1 33 12 32 1 34 12 33 1 35 13 34 1 36 14 35 1 37 14 36 1 38 16 37 1 39 16 38 1 40 16 39 1 41 17 40 1 42 17 41 1 43 17 42 1