@MOLECULE FDBD00359 63 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4225 -0.3203 -2.1181 O.3 1 UNK -0.4855 2 O1 -5.1989 1.1389 2.7867 O.2 1 UNK -0.2974 3 O2 -0.7808 -0.2158 2.7113 O.3 1 UNK -0.5064 4 C -3.4139 0.3127 -0.8245 C.3 1 UNK 0.0062 5 C1 -2.5893 0.4371 0.4797 C.3 1 UNK 0.0042 6 C2 -2.5261 0.6075 -2.0615 C.3 1 UNK 0.1085 7 C3 -4.6782 1.1844 -0.7182 C.3 1 UNK -0.0394 8 C4 -3.4335 -0.0415 1.6725 C.3 1 UNK 0.0132 9 C5 -1.2682 -0.2864 0.3260 C.ar 1 UNK 0.0395 10 C6 -5.5542 0.7534 0.4514 C.3 1 UNK 0.0062 11 C7 -0.7778 -0.6099 -0.9465 C.ar 1 UNK 0.1285 12 C8 -4.7529 0.6972 1.7284 C.2 1 UNK 0.1340 13 C9 -3.3058 0.3503 -3.3638 C.3 1 UNK -0.0249 14 C10 -1.9631 2.0375 -2.1206 C.3 1 UNK -0.0249 15 C11 -0.4722 -0.6007 1.4404 C.ar 1 UNK 0.1241 16 C12 2.5031 -2.3205 -0.1371 C.3 1 UNK -0.0096 17 C13 1.2014 -1.6122 0.0252 C.ar 1 UNK -0.0348 18 C14 0.4404 -1.2842 -1.0930 C.ar 1 UNK -0.0157 19 C15 0.7484 -1.2631 1.2923 C.ar 1 UNK -0.0160 20 C16 3.7138 -1.5426 0.5180 C.3 1 UNK -0.0439 21 C17 2.9147 -2.6458 -1.6150 C.3 1 UNK -0.0558 22 C18 2.4445 -3.7168 0.5691 C.3 1 UNK -0.0558 23 C19 3.9819 -0.1597 -0.0963 C.3 1 UNK -0.0523 24 C20 5.1892 0.5526 0.5256 C.3 1 UNK -0.0530 25 C21 5.4471 1.9410 -0.0645 C.3 1 UNK -0.0533 26 C22 6.6551 2.6070 0.5958 C.3 1 UNK -0.0559 27 C23 6.8978 4.0000 0.0368 C.3 1 UNK -0.0653 28 H -1.5850 0.2336 2.8825 H 1 UNK 0.2921 29 H1 -3.7548 -0.6923 -0.9614 H 1 UNK 0.0345 30 H2 -2.3434 1.4595 0.6776 H 1 UNK 0.0359 31 H3 -5.2395 1.0955 -1.6248 H 1 UNK 0.0273 32 H4 -4.3757 2.1979 -0.5566 H 1 UNK 0.0273 33 H5 -2.8931 0.1368 2.5786 H 1 UNK 0.0348 34 H6 -3.6305 -1.0867 1.5556 H 1 UNK 0.0348 35 H7 -5.9588 -0.2161 0.2481 H 1 UNK 0.0342 36 H8 -6.3417 1.4678 0.5717 H 1 UNK 0.0342 37 H9 -3.7091 -0.6407 -3.3483 H 1 UNK 0.0268 38 H10 -2.6469 0.4541 -4.2004 H 1 UNK 0.0268 39 H11 -4.1033 1.0587 -3.4478 H 1 UNK 0.0268 40 H12 -1.4151 2.2424 -1.2247 H 1 UNK 0.0268 41 H13 -2.7695 2.7348 -2.2128 H 1 UNK 0.0268 42 H14 -1.3130 2.1302 -2.9654 H 1 UNK 0.0268 43 H15 0.7758 -1.5394 -2.0350 H 1 UNK 0.0657 44 H16 1.3144 -1.4935 2.1239 H 1 UNK 0.0657 45 H17 4.5959 -2.1372 0.4032 H 1 UNK 0.0274 46 H18 3.4544 -1.3781 1.5430 H 1 UNK 0.0274 47 H19 2.9790 -1.7367 -2.1757 H 1 UNK 0.0238 48 H20 2.1803 -3.2863 -2.0570 H 1 UNK 0.0238 49 H21 3.8656 -3.1363 -1.6207 H 1 UNK 0.0238 50 H22 2.1675 -3.5866 1.5944 H 1 UNK 0.0238 51 H23 3.4056 -4.1840 0.5159 H 1 UNK 0.0238 52 H24 1.7204 -4.3340 0.0796 H 1 UNK 0.0238 53 H25 3.1151 0.4507 0.0483 H 1 UNK 0.0266 54 H26 4.1995 -0.3087 -1.1333 H 1 UNK 0.0266 55 H27 6.0583 -0.0507 0.3654 H 1 UNK 0.0265 56 H28 4.9754 0.6865 1.5654 H 1 UNK 0.0265 57 H29 4.5830 2.5525 0.0913 H 1 UNK 0.0265 58 H30 5.6492 1.8327 -1.1096 H 1 UNK 0.0265 59 H31 7.5227 2.0059 0.4203 H 1 UNK 0.0263 60 H32 6.4587 2.6953 1.6439 H 1 UNK 0.0263 61 H33 7.0966 3.9336 -1.0125 H 1 UNK 0.0230 62 H34 7.7375 4.4416 0.5316 H 1 UNK 0.0230 63 H35 6.0302 4.6051 0.1979 H 1 UNK 0.0230 @BOND 1 1 6 1 2 1 11 1 3 2 12 2 4 3 15 1 5 4 5 1 6 4 6 1 7 4 7 1 8 5 8 1 9 5 9 1 10 6 13 1 11 6 14 1 12 7 10 1 13 8 12 1 14 9 11 ar 15 9 15 ar 16 10 12 1 17 11 18 ar 18 15 19 ar 19 16 17 1 20 16 20 1 21 16 21 1 22 16 22 1 23 17 18 ar 24 17 19 ar 25 20 23 1 26 23 24 1 27 24 25 1 28 25 26 1 29 26 27 1 30 3 28 1 31 4 29 1 32 5 30 1 33 7 31 1 34 7 32 1 35 8 33 1 36 8 34 1 37 10 35 1 38 10 36 1 39 13 37 1 40 13 38 1 41 13 39 1 42 14 40 1 43 14 41 1 44 14 42 1 45 18 43 1 46 19 44 1 47 20 45 1 48 20 46 1 49 21 47 1 50 21 48 1 51 21 49 1 52 22 50 1 53 22 51 1 54 22 52 1 55 23 53 1 56 23 54 1 57 24 55 1 58 24 56 1 59 25 57 1 60 25 58 1 61 26 59 1 62 26 60 1 63 27 61 1 64 27 62 1 65 27 63 1