@MOLECULE FDBD00141 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4289 2.0972 1.4003 O.3 1 UNK -0.3915 2 O1 5.6637 0.0160 0.4955 O.2 1 UNK -0.2974 3 O2 -5.8815 0.5659 -1.2910 O.2 1 UNK -0.2927 4 C 1.4879 -0.9735 -0.3447 C.3 1 UNK -0.0317 5 C1 2.4338 0.1934 0.0010 C.3 1 UNK -0.0172 6 C2 0.1134 -0.8637 0.3302 C.3 1 UNK -0.0312 7 C3 -0.5707 0.4570 -0.1419 C.3 1 UNK -0.0027 8 C4 -2.0471 0.6166 0.4078 C.3 1 UNK -0.0046 9 C5 1.7835 1.4908 -0.5106 C.3 1 UNK -0.0202 10 C6 0.3547 1.7030 0.0372 C.3 1 UNK 0.0596 11 C7 3.6797 -0.2536 -0.8003 C.3 1 UNK 0.0230 12 C8 2.3482 -2.2088 -0.0977 C.3 1 UNK -0.0488 13 C9 -0.7578 -2.0758 -0.0309 C.3 1 UNK -0.0433 14 C10 3.7474 -1.7794 -0.5768 C.3 1 UNK -0.0427 15 C11 -2.1650 -1.9722 0.5666 C.3 1 UNK -0.0215 16 C12 -2.8439 -0.6759 0.1207 C.2 1 UNK -0.0572 17 C13 2.7711 0.2993 1.5110 C.3 1 UNK -0.0586 18 C14 -2.6909 1.8301 -0.3270 C.3 1 UNK -0.0366 19 C15 -2.1162 0.8688 1.9318 C.3 1 UNK -0.0555 20 C16 4.9474 0.4414 -0.4094 C.2 1 UNK 0.1339 21 C17 -4.2030 1.8806 -0.2068 C.3 1 UNK 0.0107 22 C18 -4.0677 -0.6644 -0.4402 C.2 1 UNK -0.0192 23 C19 -2.9260 -3.2744 0.2753 C.3 1 UNK -0.0587 24 C20 -4.7930 0.5974 -0.7205 C.2 1 UNK 0.1561 25 C21 5.3029 1.6842 -1.1795 C.3 1 UNK -0.0058 26 H -0.4669 2.2313 1.7473 H 1 UNK 0.2098 27 H1 1.1419 -0.9965 -1.3569 H 1 UNK 0.0309 28 H2 0.2334 -0.8480 1.3933 H 1 UNK 0.0308 29 H3 -0.7069 0.3850 -1.2008 H 1 UNK 0.0337 30 H4 1.7373 1.4515 -1.5789 H 1 UNK 0.0296 31 H5 2.3836 2.3078 -0.1681 H 1 UNK 0.0296 32 H6 -0.0998 2.4796 -0.5417 H 1 UNK 0.0596 33 H7 3.5845 0.0097 -1.8330 H 1 UNK 0.0383 34 H8 1.9900 -3.0429 -0.6641 H 1 UNK 0.0268 35 H9 2.3381 -2.5240 0.9248 H 1 UNK 0.0268 36 H10 -0.2885 -2.9617 0.3430 H 1 UNK 0.0274 37 H11 -0.8535 -2.1074 -1.0961 H 1 UNK 0.0274 38 H12 4.4812 -2.0128 0.1662 H 1 UNK 0.0272 39 H13 4.0254 -2.2918 -1.4740 H 1 UNK 0.0272 40 H14 -2.1395 -1.8890 1.6331 H 1 UNK 0.0343 41 H15 1.9003 0.6090 2.0501 H 1 UNK 0.0235 42 H16 3.5521 1.0168 1.6525 H 1 UNK 0.0235 43 H17 3.0936 -0.6549 1.8722 H 1 UNK 0.0235 44 H18 -2.4358 1.7715 -1.3645 H 1 UNK 0.0278 45 H19 -2.3095 2.7159 0.1364 H 1 UNK 0.0278 46 H20 -1.6770 0.0423 2.4504 H 1 UNK 0.0238 47 H21 -3.1384 0.9744 2.2299 H 1 UNK 0.0238 48 H22 -1.5810 1.7642 2.1698 H 1 UNK 0.0238 49 H23 -4.5787 2.7007 -0.7823 H 1 UNK 0.0345 50 H24 -4.4736 2.0098 0.8203 H 1 UNK 0.0345 51 H25 -4.5148 -1.5624 -0.6826 H 1 UNK 0.0652 52 H26 -2.9894 -3.4214 -0.7827 H 1 UNK 0.0235 53 H27 -3.9119 -3.2109 0.6862 H 1 UNK 0.0235 54 H28 -2.4068 -4.0979 0.7194 H 1 UNK 0.0235 55 H29 6.2232 2.0834 -0.8073 H 1 UNK 0.0306 56 H30 4.5259 2.4106 -1.0628 H 1 UNK 0.0306 57 H31 5.4123 1.4424 -2.2161 H 1 UNK 0.0306 @BOND 1 1 10 1 2 2 20 2 3 3 24 2 4 4 5 1 5 4 6 1 6 4 12 1 7 5 9 1 8 5 11 1 9 5 17 1 10 6 7 1 11 6 13 1 12 7 8 1 13 7 10 1 14 8 16 1 15 8 18 1 16 8 19 1 17 9 10 1 18 11 14 1 19 11 20 1 20 12 14 1 21 13 15 1 22 15 16 1 23 15 23 1 24 16 22 2 25 18 21 1 26 20 25 1 27 21 24 1 28 22 24 1 29 1 26 1 30 4 27 1 31 6 28 1 32 7 29 1 33 9 30 1 34 9 31 1 35 10 32 1 36 11 33 1 37 12 34 1 38 12 35 1 39 13 36 1 40 13 37 1 41 14 38 1 42 14 39 1 43 15 40 1 44 17 41 1 45 17 42 1 46 17 43 1 47 18 44 1 48 18 45 1 49 19 46 1 50 19 47 1 51 19 48 1 52 21 49 1 53 21 50 1 54 22 51 1 55 23 52 1 56 23 53 1 57 23 54 1 58 25 55 1 59 25 56 1 60 25 57 1