@MOLECULE FDBD00666 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5781 -0.1424 -0.0062 O.3 1 UNK -0.4589 2 O1 -0.3266 -1.2965 -1.7912 O.2 1 UNK -0.2502 3 N 4.1946 0.5096 -0.3173 N.4 1 UNK 0.2372 4 C -1.7168 -0.6328 0.0716 C.3 1 UNK 0.0706 5 C1 -2.0025 0.8610 0.2143 C.3 1 UNK -0.0253 6 C2 -2.8560 -1.3114 -0.7111 C.3 1 UNK -0.0370 7 C3 -1.5440 -1.2683 1.4635 C.3 1 UNK -0.0370 8 C4 -2.1053 1.5271 -1.1644 C.3 1 UNK -0.0492 9 C5 -3.2817 1.0926 1.0298 C.3 1 UNK -0.0492 10 C6 -2.7314 -2.8352 -0.7445 C.3 1 UNK -0.0520 11 C7 -1.4292 -2.7924 1.4127 C.3 1 UNK -0.0520 12 C8 -2.4434 3.0118 -1.0492 C.3 1 UNK -0.0528 13 C9 -3.6181 2.5780 1.1412 C.3 1 UNK -0.0528 14 C10 -2.5933 -3.4209 0.6558 C.3 1 UNK -0.0530 15 C11 -3.7106 3.2385 -0.2308 C.3 1 UNK -0.0530 16 C12 -0.4269 -0.7442 -0.7039 C.2 1 UNK 0.3138 17 C13 1.8653 -0.1749 -0.6305 C.3 1 UNK 0.1320 18 C14 2.8637 0.5334 0.2712 C.3 1 UNK 0.0032 19 C15 4.8249 -0.7981 -0.1204 C.3 1 UNK -0.0347 20 C16 5.0332 1.5659 0.2546 C.3 1 UNK -0.0347 21 C17 6.1871 -0.8574 -0.7905 C.3 1 UNK -0.0245 22 C18 5.2391 1.3568 1.7452 C.3 1 UNK -0.0245 23 H 4.0995 0.6770 -1.3190 H 1 UNK 0.2034 24 H1 -1.1865 1.3103 0.7408 H 1 UNK 0.0311 25 H2 -2.8439 -0.9460 -1.7167 H 1 UNK 0.0276 26 H3 -3.7726 -1.0756 -0.2120 H 1 UNK 0.0276 27 H4 -2.3909 -1.0097 2.0642 H 1 UNK 0.0276 28 H5 -0.6319 -0.8916 1.8771 H 1 UNK 0.0276 29 H6 -2.8722 1.0394 -1.7291 H 1 UNK 0.0268 30 H7 -1.1563 1.4373 -1.6504 H 1 UNK 0.0268 31 H8 -3.1434 0.6935 2.0129 H 1 UNK 0.0268 32 H9 -4.0906 0.6037 0.5283 H 1 UNK 0.0268 33 H10 -1.8675 -3.0999 -1.3177 H 1 UNK 0.0266 34 H11 -3.6214 -3.2328 -1.1858 H 1 UNK 0.0266 35 H12 -1.4201 -3.1729 2.4127 H 1 UNK 0.0266 36 H13 -0.5242 -3.0416 0.8991 H 1 UNK 0.0266 37 H14 -2.5881 3.4119 -2.0310 H 1 UNK 0.0265 38 H15 -1.6324 3.5016 -0.5520 H 1 UNK 0.0265 39 H16 -2.8539 3.0652 1.7101 H 1 UNK 0.0265 40 H17 -4.5700 2.6700 1.6212 H 1 UNK 0.0265 41 H18 -2.4278 -4.4751 0.5768 H 1 UNK 0.0265 42 H19 -3.4941 -3.2157 1.1955 H 1 UNK 0.0265 43 H20 -4.5441 2.8255 -0.7596 H 1 UNK 0.0265 44 H21 -3.8329 4.2918 -0.0878 H 1 UNK 0.0265 45 H22 1.8190 0.3225 -1.5767 H 1 UNK 0.0752 46 H23 2.1696 -1.1890 -0.7848 H 1 UNK 0.0752 47 H24 2.5569 1.5497 0.4051 H 1 UNK 0.0848 48 H25 2.8950 0.0281 1.2139 H 1 UNK 0.0848 49 H26 4.1962 -1.5554 -0.5400 H 1 UNK 0.0812 50 H27 4.9564 -0.9564 0.9296 H 1 UNK 0.0812 51 H28 4.5588 2.5120 0.0971 H 1 UNK 0.0812 52 H29 5.9884 1.5382 -0.2267 H 1 UNK 0.0812 53 H30 6.0740 -0.7008 -1.8429 H 1 UNK 0.0281 54 H31 6.6280 -1.8170 -0.6180 H 1 UNK 0.0281 55 H32 6.8187 -0.0962 -0.3825 H 1 UNK 0.0281 56 H33 4.2923 1.3816 2.2430 H 1 UNK 0.0281 57 H34 5.8654 2.1337 2.1312 H 1 UNK 0.0281 58 H35 5.7046 0.4078 1.9113 H 1 UNK 0.0281 @BOND 1 1 16 1 2 1 17 1 3 2 16 2 4 3 18 1 5 3 19 1 6 3 20 1 7 4 5 1 8 4 6 1 9 4 7 1 10 4 16 1 11 5 8 1 12 5 9 1 13 6 10 1 14 7 11 1 15 8 12 1 16 9 13 1 17 10 14 1 18 11 14 1 19 12 15 1 20 13 15 1 21 17 18 1 22 19 21 1 23 20 22 1 24 3 23 1 25 5 24 1 26 6 25 1 27 6 26 1 28 7 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 9 31 1 33 9 32 1 34 10 33 1 35 10 34 1 36 11 35 1 37 11 36 1 38 12 37 1 39 12 38 1 40 13 39 1 41 13 40 1 42 14 41 1 43 14 42 1 44 15 43 1 45 15 44 1 46 17 45 1 47 17 46 1 48 18 47 1 49 18 48 1 50 19 49 1 51 19 50 1 52 20 51 1 53 20 52 1 54 21 53 1 55 21 54 1 56 21 55 1 57 22 56 1 58 22 57 1 59 22 58 1