@MOLECULE FDBD00377 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9010 2.5086 -0.9931 O.3 1 UNK -0.5068 2 N -2.3724 -0.3130 0.0602 N.4 1 UNK 0.2407 3 C 0.3673 -0.9612 -0.7542 C.3 1 UNK 0.0089 4 C1 -0.3960 -1.7245 0.3650 C.3 1 UNK 0.0122 5 C2 -1.3670 -0.7472 1.0558 C.3 1 UNK -0.0128 6 C3 -0.6929 -0.4522 -1.7691 C.3 1 UNK -0.0024 7 C4 1.3033 -1.9769 -1.4654 C.3 1 UNK -0.0427 8 C5 0.5500 -2.4468 1.3451 C.3 1 UNK -0.0443 9 C6 1.0921 0.2715 -0.1834 C.ar 1 UNK -0.0337 10 C7 -0.5818 0.3833 1.7529 C.3 1 UNK 0.0161 11 C8 -1.8117 0.3681 -1.1094 C.3 1 UNK -0.0305 12 C9 2.2536 -2.6904 -0.5023 C.3 1 UNK -0.0522 13 C10 1.4889 -3.3995 0.6102 C.3 1 UNK -0.0526 14 C11 0.6157 0.9010 0.9890 C.ar 1 UNK -0.0381 15 C12 -3.4742 0.4480 0.6405 C.3 1 UNK -0.0130 16 C13 2.1933 0.8470 -0.8436 C.ar 1 UNK -0.0162 17 C14 1.2736 2.0361 1.4934 C.ar 1 UNK -0.0547 18 C15 2.8327 1.9798 -0.3357 C.ar 1 UNK 0.1172 19 C16 2.3774 2.5706 0.8358 C.ar 1 UNK -0.0199 20 C17 -4.5491 0.6069 -0.3827 C.2 1 UNK -0.0465 21 C18 -5.0037 1.7909 -0.8088 C.2 1 UNK -0.0977 22 H 4.2087 2.1104 -1.7835 H 1 UNK 0.2921 23 H1 -2.7613 -1.1908 -0.2843 H 1 UNK 0.2040 24 H2 -0.9676 -2.5155 -0.0737 H 1 UNK 0.0364 25 H3 -1.9126 -1.2124 1.8500 H 1 UNK 0.0857 26 H4 -1.1321 -1.2978 -2.2560 H 1 UNK 0.0325 27 H5 -0.1902 0.1911 -2.4607 H 1 UNK 0.0325 28 H6 1.8862 -1.4517 -2.1929 H 1 UNK 0.0274 29 H7 0.6825 -2.7239 -1.9143 H 1 UNK 0.0274 30 H8 -0.0346 -3.0054 2.0459 H 1 UNK 0.0270 31 H9 1.1419 -1.7104 1.8474 H 1 UNK 0.0270 32 H10 -0.2382 0.0144 2.6967 H 1 UNK 0.0368 33 H11 -1.2592 1.2072 1.8370 H 1 UNK 0.0368 34 H12 -1.4129 1.3121 -0.8016 H 1 UNK 0.0815 35 H13 -2.5959 0.4955 -1.8262 H 1 UNK 0.0815 36 H14 2.9135 -1.9696 -0.0665 H 1 UNK 0.0266 37 H15 2.8036 -3.4242 -1.0536 H 1 UNK 0.0266 38 H16 0.9127 -4.1937 0.1834 H 1 UNK 0.0265 39 H17 2.1995 -3.7776 1.3151 H 1 UNK 0.0265 40 H18 -3.1231 1.4120 0.9443 H 1 UNK 0.0861 41 H19 -3.8612 -0.0703 1.4929 H 1 UNK 0.0861 42 H20 2.5352 0.4236 -1.7205 H 1 UNK 0.0657 43 H21 0.9340 2.4784 2.3618 H 1 UNK 0.0622 44 H22 2.8554 3.4021 1.2169 H 1 UNK 0.0654 45 H23 -4.9663 -0.2469 -0.7853 H 1 UNK 0.0619 46 H24 -4.6076 2.6637 -0.4263 H 1 UNK 0.0534 47 H25 -5.7504 1.8313 -1.5200 H 1 UNK 0.0534 @BOND 1 1 18 1 2 2 5 1 3 2 11 1 4 2 15 1 5 3 4 1 6 3 6 1 7 3 7 1 8 3 9 1 9 4 5 1 10 4 8 1 11 5 10 1 12 6 11 1 13 7 12 1 14 8 13 1 15 9 14 ar 16 9 16 ar 17 10 14 1 18 12 13 1 19 14 17 ar 20 15 20 1 21 16 18 ar 22 17 19 ar 23 18 19 ar 24 20 21 2 25 1 22 1 26 2 23 1 27 4 24 1 28 5 25 1 29 6 26 1 30 6 27 1 31 7 28 1 32 7 29 1 33 8 30 1 34 8 31 1 35 10 32 1 36 10 33 1 37 11 34 1 38 11 35 1 39 12 36 1 40 12 37 1 41 13 38 1 42 13 39 1 43 15 40 1 44 15 41 1 45 16 42 1 46 17 43 1 47 19 44 1 48 20 45 1 49 21 46 1 50 21 47 1