@MOLECULE FDBD00044 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.4382 0.1154 -1.3372 O.3 1 UNK -0.3915 2 C 0.7927 1.4100 0.1344 C.3 1 UNK -0.0222 3 C1 2.0629 0.7278 -0.4350 C.3 1 UNK -0.0291 4 C2 -0.2912 0.6030 -0.6229 C.3 1 UNK -0.0139 5 C3 1.7055 -0.7731 -0.4594 C.3 1 UNK -0.0486 6 C4 0.1698 -0.8505 -0.4766 C.3 1 UNK -0.0457 7 C5 0.6743 2.9111 -0.2214 C.3 1 UNK -0.0465 8 C6 3.3702 1.0137 0.2900 C.3 1 UNK -0.0224 9 C7 -1.6831 1.0174 -0.2229 C.2 1 UNK -0.0659 10 C8 0.7070 1.2457 1.6742 C.3 1 UNK -0.0587 11 C9 -0.7369 3.3269 -0.6805 C.3 1 UNK -0.0488 12 C10 -1.8722 2.5108 -0.0483 C.3 1 UNK -0.0312 13 C11 3.6805 2.5125 0.2827 C.3 1 UNK -0.0587 14 C12 4.5039 0.2493 -0.3498 C.2 1 UNK -0.0846 15 C13 -2.7017 0.1652 -0.0372 C.2 1 UNK -0.0620 16 C14 5.2432 -0.6673 0.2938 C.2 1 UNK -0.0846 17 C15 -4.0287 0.5885 0.3347 C.2 1 UNK -0.0583 18 C16 6.3706 -1.4432 -0.3516 C.3 1 UNK -0.0234 19 C17 -5.0489 -0.2642 0.5208 C.2 1 UNK -0.0423 20 C18 7.7246 -1.1765 0.3659 C.3 1 UNK -0.0407 21 C19 -6.4393 0.2193 0.8683 C.3 1 UNK -0.0013 22 C20 5.9882 -2.9280 -0.3500 C.3 1 UNK -0.0587 23 C21 -4.9121 -1.7087 0.3635 C.2 1 UNK -0.0511 24 C22 -7.5217 -0.4125 -0.0149 C.3 1 UNK 0.0595 25 C23 -5.9720 -2.3622 -0.4887 C.3 1 UNK -0.0256 26 C24 -7.3830 -1.9351 -0.0735 C.3 1 UNK -0.0226 27 C25 8.1062 0.3086 0.3496 C.3 1 UNK -0.0621 28 C26 8.8688 -1.9847 -0.2635 C.3 1 UNK -0.0621 29 C27 -3.9393 -2.4195 0.9554 C.2 1 UNK -0.0952 30 H -7.5256 1.0810 -1.3060 H 1 UNK 0.2098 31 H1 2.2870 1.1300 -1.4009 H 1 UNK 0.0312 32 H2 -0.3858 0.7916 -1.6719 H 1 UNK 0.0351 33 H3 2.0913 -1.2601 0.4117 H 1 UNK 0.0268 34 H4 2.1292 -1.2601 -1.3128 H 1 UNK 0.0268 35 H5 -0.1691 -1.4389 -1.3035 H 1 UNK 0.0271 36 H6 -0.2222 -1.3127 0.4052 H 1 UNK 0.0271 37 H7 1.3641 3.1272 -1.0104 H 1 UNK 0.0271 38 H8 0.8896 3.4627 0.6698 H 1 UNK 0.0271 39 H9 3.2639 0.6939 1.3055 H 1 UNK 0.0343 40 H10 0.7883 0.2093 1.9274 H 1 UNK 0.0235 41 H11 -0.2311 1.6253 2.0217 H 1 UNK 0.0235 42 H12 1.5047 1.7892 2.1358 H 1 UNK 0.0235 43 H13 -0.7917 3.2104 -1.7427 H 1 UNK 0.0268 44 H14 -0.8756 4.3401 -0.3657 H 1 UNK 0.0268 45 H15 -1.9114 2.7313 0.9980 H 1 UNK 0.0310 46 H16 -2.7812 2.7825 -0.5430 H 1 UNK 0.0310 47 H17 3.7901 2.8491 -0.7270 H 1 UNK 0.0235 48 H18 4.5891 2.6912 0.8189 H 1 UNK 0.0235 49 H19 2.8793 3.0449 0.7512 H 1 UNK 0.0235 50 H20 4.7231 0.4428 -1.3395 H 1 UNK 0.0572 51 H21 -2.5270 -0.8436 -0.1669 H 1 UNK 0.0617 52 H22 5.0305 -0.8538 1.2863 H 1 UNK 0.0572 53 H23 -4.2031 1.5974 0.4643 H 1 UNK 0.0620 54 H24 6.5115 -1.1202 -1.3619 H 1 UNK 0.0343 55 H25 7.5827 -1.4878 1.3797 H 1 UNK 0.0301 56 H26 -6.4734 1.2816 0.7449 H 1 UNK 0.0338 57 H27 -6.6385 -0.0674 1.8797 H 1 UNK 0.0338 58 H28 5.8455 -3.2585 0.6576 H 1 UNK 0.0235 59 H29 6.7709 -3.4984 -0.8050 H 1 UNK 0.0235 60 H30 5.0813 -3.0633 -0.9015 H 1 UNK 0.0235 61 H31 -8.4714 -0.1760 0.4176 H 1 UNK 0.0596 62 H32 -5.8890 -3.4244 -0.3897 H 1 UNK 0.0314 63 H33 -5.8178 -2.0557 -1.5022 H 1 UNK 0.0314 64 H34 -8.0844 -2.3197 -0.7841 H 1 UNK 0.0293 65 H35 -7.5739 -2.3243 0.9047 H 1 UNK 0.0293 66 H36 8.2501 0.6288 -0.6612 H 1 UNK 0.0233 67 H37 9.0122 0.4501 0.9010 H 1 UNK 0.0233 68 H38 7.3225 0.8832 0.7976 H 1 UNK 0.0233 69 H39 9.0101 -1.6729 -1.2773 H 1 UNK 0.0233 70 H40 8.6241 -3.0261 -0.2415 H 1 UNK 0.0233 71 H41 9.7694 -1.8182 0.2897 H 1 UNK 0.0233 72 H42 -3.2292 -1.9419 1.5321 H 1 UNK 0.0538 73 H43 -3.9015 -3.4436 0.8337 H 1 UNK 0.0538 @BOND 1 1 24 1 2 2 3 1 3 2 4 1 4 2 7 1 5 2 10 1 6 3 5 1 7 3 8 1 8 4 6 1 9 4 9 1 10 5 6 1 11 7 11 1 12 8 13 1 13 8 14 1 14 9 12 1 15 9 15 2 16 11 12 1 17 14 16 2 18 15 17 1 19 16 18 1 20 17 19 2 21 18 20 1 22 18 22 1 23 19 21 1 24 19 23 1 25 20 27 1 26 20 28 1 27 21 24 1 28 23 25 1 29 23 29 2 30 24 26 1 31 25 26 1 32 1 30 1 33 3 31 1 34 4 32 1 35 5 33 1 36 5 34 1 37 6 35 1 38 6 36 1 39 7 37 1 40 7 38 1 41 8 39 1 42 10 40 1 43 10 41 1 44 10 42 1 45 11 43 1 46 11 44 1 47 12 45 1 48 12 46 1 49 13 47 1 50 13 48 1 51 13 49 1 52 14 50 1 53 15 51 1 54 16 52 1 55 17 53 1 56 18 54 1 57 20 55 1 58 21 56 1 59 21 57 1 60 22 58 1 61 22 59 1 62 22 60 1 63 24 61 1 64 25 62 1 65 25 63 1 66 26 64 1 67 26 65 1 68 27 66 1 69 27 67 1 70 27 68 1 71 28 69 1 72 28 70 1 73 28 71 1 74 29 72 1 75 29 73 1