@MOLECULE FDBD00260 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.5103 -0.1339 0.2279 O.2 1 UNK -0.2974 2 O1 6.1355 -0.3409 -0.4366 O.2 1 UNK -0.2927 3 C -2.2403 -0.1907 0.3050 C.3 1 UNK -0.0192 4 C1 -1.2843 0.9325 -0.1412 C.3 1 UNK -0.0284 5 C2 -0.0685 1.0921 0.7778 C.3 1 UNK -0.0156 6 C3 0.7242 -0.2481 0.9648 C.3 1 UNK -0.0251 7 C4 -3.3441 -0.0264 -0.7638 C.3 1 UNK 0.0229 8 C5 -1.4664 -1.5089 0.2239 C.3 1 UNK -0.0464 9 C6 -2.2199 2.1260 -0.3369 C.3 1 UNK -0.0485 10 C7 -0.2087 -1.4884 1.1056 C.3 1 UNK -0.0484 11 C8 1.9522 -0.4415 -0.0202 C.3 1 UNK -0.0032 12 C9 -3.5002 1.5001 -0.9175 C.3 1 UNK -0.0427 13 C10 -2.8159 0.0005 1.7325 C.3 1 UNK -0.0586 14 C11 0.8074 2.2322 0.3401 C.2 1 UNK -0.0801 15 C12 2.7907 0.8422 -0.0857 C.2 1 UNK -0.0382 16 C13 2.8595 -1.5872 0.5257 C.3 1 UNK -0.0363 17 C14 -4.6371 -0.7019 -0.4263 C.2 1 UNK 0.1339 18 C15 1.5124 -0.7998 -1.4558 C.3 1 UNK -0.0553 19 C16 2.0883 2.1094 -0.0216 C.2 1 UNK -0.0616 20 C17 4.1947 -1.7157 -0.1976 C.3 1 UNK 0.0107 21 C18 4.1301 0.8545 -0.1983 C.2 1 UNK -0.0155 22 C19 4.9177 -0.3973 -0.2727 C.2 1 UNK 0.1564 23 C20 -4.8170 -2.1089 -0.9289 C.3 1 UNK -0.0058 24 H -0.7581 0.7457 -1.0540 H 1 UNK 0.0312 25 H1 -0.4397 1.3440 1.7492 H 1 UNK 0.0349 26 H2 1.2067 -0.1556 1.9154 H 1 UNK 0.0315 27 H3 -3.0644 -0.5093 -1.6767 H 1 UNK 0.0383 28 H4 -1.1745 -1.6770 -0.7917 H 1 UNK 0.0271 29 H5 -2.1057 -2.2916 0.5754 H 1 UNK 0.0271 30 H6 -1.7977 2.8328 -1.0204 H 1 UNK 0.0268 31 H7 -2.3981 2.6642 0.5705 H 1 UNK 0.0268 32 H8 -0.5270 -1.5406 2.1258 H 1 UNK 0.0269 33 H9 0.3784 -2.3207 0.7776 H 1 UNK 0.0269 34 H10 -4.3577 1.8412 -0.3760 H 1 UNK 0.0272 35 H11 -3.6376 1.7757 -1.9422 H 1 UNK 0.0272 36 H12 -3.3546 0.9238 1.7791 H 1 UNK 0.0235 37 H13 -2.0141 0.0192 2.4408 H 1 UNK 0.0235 38 H14 -3.4760 -0.8096 1.9624 H 1 UNK 0.0235 39 H15 0.3907 3.1761 0.3172 H 1 UNK 0.0575 40 H16 2.3313 -2.5123 0.4247 H 1 UNK 0.0278 41 H17 3.0804 -1.3492 1.5453 H 1 UNK 0.0278 42 H18 0.8887 -0.0212 -1.8426 H 1 UNK 0.0238 43 H19 0.9669 -1.7202 -1.4425 H 1 UNK 0.0238 44 H20 2.3767 -0.9064 -2.0775 H 1 UNK 0.0238 45 H21 2.6076 2.9660 -0.2696 H 1 UNK 0.0617 46 H22 4.0178 -2.0710 -1.1913 H 1 UNK 0.0345 47 H23 4.8066 -2.4003 0.3518 H 1 UNK 0.0345 48 H24 4.6228 1.7606 -0.2339 H 1 UNK 0.0655 49 H25 -5.7742 -2.4770 -0.6238 H 1 UNK 0.0306 50 H26 -4.0488 -2.7335 -0.5232 H 1 UNK 0.0306 51 H27 -4.7558 -2.1166 -1.9971 H 1 UNK 0.0306 @BOND 1 1 17 2 2 2 22 2 3 3 4 1 4 3 7 1 5 3 8 1 6 3 13 1 7 4 5 1 8 4 9 1 9 5 6 1 10 5 14 1 11 6 10 1 12 6 11 1 13 7 12 1 14 7 17 1 15 8 10 1 16 9 12 1 17 11 15 1 18 11 16 1 19 11 18 1 20 14 19 2 21 15 19 1 22 15 21 2 23 16 20 1 24 17 23 1 25 20 22 1 26 21 22 1 27 4 24 1 28 5 25 1 29 6 26 1 30 7 27 1 31 8 28 1 32 8 29 1 33 9 30 1 34 9 31 1 35 10 32 1 36 10 33 1 37 12 34 1 38 12 35 1 39 13 36 1 40 13 37 1 41 13 38 1 42 14 39 1 43 16 40 1 44 16 41 1 45 18 42 1 46 18 43 1 47 18 44 1 48 19 45 1 49 20 46 1 50 20 47 1 51 21 48 1 52 23 49 1 53 23 50 1 54 23 51 1