@MOLECULE FDBD00343 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5787 -1.9919 0.4990 O.3 1 UNK -0.4855 2 O1 -0.3951 2.6957 -0.8292 O.3 1 UNK -0.5063 3 C -2.7626 -0.9279 0.1684 C.3 1 UNK 0.0091 4 C1 -2.1208 0.3156 -0.4942 C.3 1 UNK 0.0158 5 C2 -1.8900 -2.1827 -0.0737 C.3 1 UNK 0.1087 6 C3 -4.2255 -1.0355 -0.2831 C.3 1 UNK -0.0421 7 C4 -0.6628 0.3922 -0.0810 C.ar 1 UNK 0.0428 8 C5 -5.0238 0.1842 0.1928 C.3 1 UNK -0.0316 9 C6 -2.9653 1.5429 -0.2199 C.2 1 UNK -0.0770 10 C7 -4.2731 1.4881 0.0931 C.2 1 UNK -0.0759 11 C8 0.0013 -0.7572 0.3763 C.ar 1 UNK 0.1288 12 C9 -2.4784 -3.4921 0.4747 C.3 1 UNK -0.0249 13 C10 -1.6307 -2.3886 -1.5769 C.3 1 UNK -0.0249 14 C11 0.0890 1.5706 -0.2281 C.ar 1 UNK 0.1243 15 C12 1.3498 -0.7035 0.7501 C.ar 1 UNK -0.0162 16 C13 -5.0789 2.7258 0.3636 C.3 1 UNK -0.0438 17 C14 2.0651 0.4844 0.6346 C.ar 1 UNK -0.0404 18 C15 1.4370 1.6193 0.1358 C.ar 1 UNK -0.0165 19 C16 3.5035 0.5330 1.0232 C.3 1 UNK -0.0275 20 C17 4.4822 0.1832 -0.1131 C.3 1 UNK -0.0491 21 C18 5.9447 0.1800 0.3428 C.3 1 UNK -0.0530 22 C19 6.8816 -0.1965 -0.8055 C.3 1 UNK -0.0559 23 C20 8.3316 -0.2391 -0.3500 C.3 1 UNK -0.0653 24 H -1.2913 2.7335 -1.1000 H 1 UNK 0.2921 25 H1 -2.7932 -0.8335 1.2338 H 1 UNK 0.0348 26 H2 -2.1073 0.2459 -1.5618 H 1 UNK 0.0398 27 H3 -4.6576 -1.9227 0.1304 H 1 UNK 0.0272 28 H4 -4.2565 -1.0747 -1.3519 H 1 UNK 0.0272 29 H5 -5.2949 0.0299 1.2163 H 1 UNK 0.0310 30 H6 -5.8738 0.2674 -0.4517 H 1 UNK 0.0310 31 H7 -2.5143 2.4694 -0.2760 H 1 UNK 0.0578 32 H8 -2.6720 -3.3852 1.5216 H 1 UNK 0.0268 33 H9 -1.7809 -4.2887 0.3205 H 1 UNK 0.0268 34 H10 -3.3920 -3.7141 -0.0361 H 1 UNK 0.0268 35 H11 -1.2191 -1.4932 -1.9938 H 1 UNK 0.0268 36 H12 -2.5519 -2.6205 -2.0693 H 1 UNK 0.0268 37 H13 -0.9408 -3.1952 -1.7126 H 1 UNK 0.0268 38 H14 1.8157 -1.5497 1.1133 H 1 UNK 0.0657 39 H15 -6.0879 2.4518 0.5909 H 1 UNK 0.0274 40 H16 -5.0665 3.3556 -0.5014 H 1 UNK 0.0274 41 H17 -4.6565 3.2520 1.1940 H 1 UNK 0.0274 42 H18 1.9669 2.4990 0.0341 H 1 UNK 0.0657 43 H19 3.6576 -0.1609 1.8229 H 1 UNK 0.0313 44 H20 3.7099 1.5449 1.3030 H 1 UNK 0.0313 45 H21 4.3696 0.9045 -0.8954 H 1 UNK 0.0268 46 H22 4.2470 -0.8055 -0.4478 H 1 UNK 0.0268 47 H23 6.0616 -0.5293 1.1353 H 1 UNK 0.0265 48 H24 6.1973 1.1646 0.6770 H 1 UNK 0.0265 49 H25 6.7835 0.5285 -1.5863 H 1 UNK 0.0263 50 H26 6.6104 -1.1710 -1.1545 H 1 UNK 0.0263 51 H27 8.6230 0.7279 0.0035 H 1 UNK 0.0230 52 H28 8.9556 -0.5212 -1.1722 H 1 UNK 0.0230 53 H29 8.4367 -0.9539 0.4392 H 1 UNK 0.0230 @BOND 1 1 5 1 2 1 11 1 3 2 14 1 4 3 4 1 5 3 5 1 6 3 6 1 7 4 7 1 8 4 9 1 9 5 12 1 10 5 13 1 11 6 8 1 12 7 11 ar 13 7 14 ar 14 8 10 1 15 9 10 2 16 10 16 1 17 11 15 ar 18 14 18 ar 19 15 17 ar 20 17 18 ar 21 17 19 1 22 19 20 1 23 20 21 1 24 21 22 1 25 22 23 1 26 2 24 1 27 3 25 1 28 4 26 1 29 6 27 1 30 6 28 1 31 8 29 1 32 8 30 1 33 9 31 1 34 12 32 1 35 12 33 1 36 12 34 1 37 13 35 1 38 13 36 1 39 13 37 1 40 15 38 1 41 16 39 1 42 16 40 1 43 16 41 1 44 18 42 1 45 19 43 1 46 19 44 1 47 20 45 1 48 20 46 1 49 21 47 1 50 21 48 1 51 22 49 1 52 22 50 1 53 23 51 1 54 23 52 1 55 23 53 1