@MOLECULE FDBD01099 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.7067 -1.9155 1.4817 O.2 1 UNK -0.2696 2 N 1.9745 -0.4240 -0.2769 N.am 1 UNK -0.3078 3 N1 1.7202 -3.7665 -0.8010 N.4 1 UNK 0.2273 4 N2 -5.0639 -1.0307 0.6996 N.4 1 UNK 0.2185 5 C -0.5317 -2.8402 -0.2846 C.3 1 UNK -0.0009 6 C1 0.9124 -2.5511 -0.7207 C.3 1 UNK 0.0532 7 C2 2.6072 0.6383 0.4716 C.3 1 UNK 0.0244 8 C3 -1.4076 -1.5851 -0.2116 C.3 1 UNK -0.0427 9 C4 2.2813 2.0154 -0.1274 C.3 1 UNK -0.0094 10 C5 -2.8436 -1.9342 0.1891 C.3 1 UNK -0.0124 11 C6 1.5731 -1.6233 0.2950 C.2 1 UNK 0.2614 12 C7 4.1150 0.4104 0.5106 C.3 1 UNK -0.0463 13 C8 0.7983 2.2938 -0.1935 C.ar 1 UNK -0.0456 14 C9 -3.7073 -0.6788 0.2978 C.3 1 UNK -0.0354 15 C10 0.0891 1.9284 -1.3264 C.ar 1 UNK -0.0585 16 C11 0.1745 2.9089 0.8801 C.ar 1 UNK -0.0585 17 C12 -1.2805 2.1851 -1.3875 C.ar 1 UNK -0.0615 18 C13 -1.1951 3.1655 0.8189 C.ar 1 UNK -0.0615 19 C14 -1.9226 2.8037 -0.3149 C.ar 1 UNK -0.0617 20 H 1.8206 -0.2903 -1.2401 H 1 UNK 0.1492 21 H1 1.3024 -4.4086 -1.4745 H 1 UNK 0.2002 22 H2 1.7565 -4.2118 0.1159 H 1 UNK 0.2002 23 H3 2.6654 -3.5273 -1.1005 H 1 UNK 0.2002 24 H4 -5.6286 -0.1841 0.7681 H 1 UNK 0.1994 25 H5 -5.0397 -1.4975 1.6062 H 1 UNK 0.1994 26 H6 -5.4725 -1.6567 0.0056 H 1 UNK 0.1994 27 H7 -0.5091 -3.2949 0.6837 H 1 UNK 0.0325 28 H8 -0.9622 -3.4836 -1.0233 H 1 UNK 0.0325 29 H9 0.8631 -2.1041 -1.6916 H 1 UNK 0.0948 30 H10 2.2238 0.6250 1.4704 H 1 UNK 0.0499 31 H11 -1.4184 -1.1108 -1.1707 H 1 UNK 0.0269 32 H12 -0.9992 -0.9296 0.5290 H 1 UNK 0.0269 33 H13 2.6811 2.0593 -1.1189 H 1 UNK 0.0331 34 H14 2.7176 2.7541 0.5120 H 1 UNK 0.0331 35 H15 -2.8305 -2.4320 1.1362 H 1 UNK 0.0317 36 H16 -3.2611 -2.5686 -0.5647 H 1 UNK 0.0317 37 H17 4.5035 0.4228 -0.4863 H 1 UNK 0.0248 38 H18 4.3209 -0.5377 0.9618 H 1 UNK 0.0248 39 H19 4.5783 1.1862 1.0836 H 1 UNK 0.0248 40 H20 -3.2829 -0.0205 1.0268 H 1 UNK 0.0813 41 H21 -3.7413 -0.1962 -0.6566 H 1 UNK 0.0813 42 H22 0.5694 1.4709 -2.1170 H 1 UNK 0.0620 43 H23 0.7177 3.1744 1.7164 H 1 UNK 0.0620 44 H24 -1.8188 1.9173 -2.2263 H 1 UNK 0.0618 45 H25 -1.6703 3.6231 1.6125 H 1 UNK 0.0618 46 H26 -2.9359 2.9937 -0.3601 H 1 UNK 0.0618 @BOND 1 1 11 2 2 2 7 1 3 2 11 am 4 3 6 1 5 4 14 1 6 5 6 1 7 5 8 1 8 6 11 1 9 7 9 1 10 7 12 1 11 8 10 1 12 9 13 1 13 10 14 1 14 13 15 ar 15 13 16 ar 16 15 17 ar 17 16 18 ar 18 17 19 ar 19 18 19 ar 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 6 29 1 30 7 30 1 31 8 31 1 32 8 32 1 33 9 33 1 34 9 34 1 35 10 35 1 36 10 36 1 37 12 37 1 38 12 38 1 39 12 39 1 40 14 40 1 41 14 41 1 42 15 42 1 43 16 43 1 44 17 44 1 45 18 45 1 46 19 46 1