@MOLECULE DB03556 65 64 1 SMALL USER_CHARGES @ATOM 1 O1 1.4200 0.0000 0.0000 O.3 1 noname -0.3765 2 C1 0.0000 0.0000 0.0000 C.3 1 noname 0.0702 3 C2 1.8933 -1.3388 0.0000 C.3 1 noname 0.0702 4 C3 -0.5100 1.4425 0.0000 C.3 1 noname 0.0702 5 C4 3.4233 -1.3388 0.0000 C.3 1 noname 0.0702 6 O2 -1.9300 1.4425 0.0000 O.3 1 noname -0.3765 7 O3 3.8967 -2.6776 0.0000 O.3 1 noname -0.3765 8 C5 -2.4033 2.7813 0.0000 C.3 1 noname 0.0702 9 C6 5.3167 -2.6776 0.0000 C.3 1 noname 0.0702 10 C7 -3.9333 2.7813 0.0000 C.3 1 noname 0.0702 11 C8 5.8267 -4.1201 0.0000 C.3 1 noname 0.0702 12 O4 -4.4067 4.1201 0.0000 O.3 1 noname -0.3765 13 O5 7.2467 -4.1201 0.0000 O.3 1 noname -0.3765 14 C9 -5.8267 4.1201 0.0000 C.3 1 noname 0.0702 15 C10 7.7200 -5.4589 0.0000 C.3 1 noname 0.0702 16 C11 -6.3367 5.5626 0.0000 C.3 1 noname 0.0702 17 C12 9.2500 -5.4589 0.0000 C.3 1 noname 0.0702 18 O6 -7.7567 5.5626 0.0000 O.3 1 noname -0.3765 19 O7 9.7233 -6.7977 0.0000 O.3 1 noname -0.3765 20 C13 -8.2300 6.9014 0.0000 C.3 1 noname 0.0702 21 C14 11.1433 -6.7977 0.0000 C.3 1 noname 0.0699 22 C15 -9.7600 6.9014 0.0000 C.3 1 noname 0.0701 23 C16 11.6533 -8.2402 0.0000 C.3 1 noname 0.0666 24 O8 -10.2333 8.2402 0.0000 O.3 1 noname -0.3792 25 O9 13.0733 -8.2402 0.0000 O.3 1 noname -0.3938 26 C17 -11.6533 8.2402 0.0000 C.3 1 noname 0.0440 27 C18 -12.1633 9.6826 0.0000 C.3 1 noname -0.0416 28 H1 -0.2908 -0.4609 -0.9440 H 1 noname 0.0590 29 H2 -0.2908 -0.4609 0.9440 H 1 noname 0.0590 30 H3 1.5557 -1.7666 0.9440 H 1 noname 0.0590 31 H4 1.5557 -1.7666 -0.9440 H 1 noname 0.0590 32 H5 -0.2192 1.9034 0.9440 H 1 noname 0.0590 33 H6 -0.2192 1.9034 -0.9440 H 1 noname 0.0590 34 H7 3.7610 -0.9110 -0.9440 H 1 noname 0.0590 35 H8 3.7610 -0.9110 0.9440 H 1 noname 0.0590 36 H9 -2.0657 3.2091 0.9440 H 1 noname 0.0590 37 H10 -2.0657 3.2091 -0.9440 H 1 noname 0.0590 38 H11 5.6075 -2.2166 -0.9440 H 1 noname 0.0590 39 H12 5.6075 -2.2166 0.9440 H 1 noname 0.0590 40 H13 -4.2710 2.3535 -0.9440 H 1 noname 0.0590 41 H14 -4.2710 2.3535 0.9440 H 1 noname 0.0590 42 H15 5.5359 -4.5810 0.9440 H 1 noname 0.0590 43 H16 5.5359 -4.5810 -0.9440 H 1 noname 0.0590 44 H17 -6.1175 3.6591 -0.9440 H 1 noname 0.0590 45 H18 -6.1175 3.6591 0.9440 H 1 noname 0.0590 46 H19 7.3823 -5.8867 0.9440 H 1 noname 0.0590 47 H20 7.3823 -5.8867 -0.9440 H 1 noname 0.0590 48 H21 -6.0459 6.0235 0.9440 H 1 noname 0.0590 49 H22 -6.0459 6.0235 -0.9440 H 1 noname 0.0590 50 H23 9.5877 -5.0311 -0.9440 H 1 noname 0.0590 51 H24 9.5877 -5.0311 0.9440 H 1 noname 0.0590 52 H25 -7.8923 7.3292 0.9440 H 1 noname 0.0590 53 H26 -7.8923 7.3292 -0.9440 H 1 noname 0.0590 54 H27 11.4341 -6.3367 -0.9440 H 1 noname 0.0590 55 H28 11.4341 -6.3367 0.9440 H 1 noname 0.0590 56 H29 -10.0977 6.4736 -0.9440 H 1 noname 0.0590 57 H30 -10.0977 6.4736 0.9440 H 1 noname 0.0590 58 H31 11.3625 -8.7011 0.9440 H 1 noname 0.0587 59 H32 11.3625 -8.7011 -0.9440 H 1 noname 0.0587 60 H33 13.3933 -8.2402 0.9051 H 1 noname 0.2101 61 H34 -11.9441 7.7792 -0.9440 H 1 noname 0.0563 62 H35 -11.9441 7.7792 0.9440 H 1 noname 0.0563 63 H36 -12.2844 10.0252 1.0277 H 1 noname 0.0254 64 H37 -11.4454 10.3219 -0.5138 H 1 noname 0.0254 65 H38 -13.1235 9.7285 -0.5138 H 1 noname 0.0254 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 10 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 14 16 1 16 15 17 1 17 16 18 1 18 17 19 1 19 18 20 1 20 19 21 1 21 20 22 1 22 21 23 1 23 22 24 1 24 23 25 1 25 24 26 1 26 26 27 1 27 2 28 1 28 2 29 1 29 3 30 1 30 3 31 1 31 4 32 1 32 4 33 1 33 5 34 1 34 5 35 1 35 8 36 1 36 8 37 1 37 9 38 1 38 9 39 1 39 10 40 1 40 10 41 1 41 11 42 1 42 11 43 1 43 14 44 1 44 14 45 1 45 15 46 1 46 15 47 1 47 16 48 1 48 16 49 1 49 17 50 1 50 17 51 1 51 20 52 1 52 20 53 1 53 21 54 1 54 21 55 1 55 22 56 1 56 22 57 1 57 23 58 1 58 23 59 1 59 25 60 1 60 26 61 1 61 26 62 1 62 27 63 1 63 27 64 1 64 27 65 1 @SUBSTRUCTURE 1 noname 1