@MOLECULE DB06867 50 49 1 SMALL USER_CHARGES @ATOM 1 O1 2.0033 -1.3388 0.0000 O.3 1 noname -0.3765 2 C1 1.5300 0.0000 0.0000 C.3 1 noname 0.0702 3 C2 3.4233 -1.3388 0.0000 C.3 1 noname 0.0702 4 C3 0.0000 0.0000 0.0000 C.3 1 noname 0.0702 5 C4 3.9333 -2.7813 0.0000 C.3 1 noname 0.0702 6 O2 -0.4733 1.3388 0.0000 O.3 1 noname -0.3765 7 O3 5.3533 -2.7813 0.0000 O.3 1 noname -0.3765 8 C5 -1.8933 1.3388 0.0000 C.3 1 noname 0.0702 9 C6 5.8267 -4.1201 0.0000 C.3 1 noname 0.0702 10 C7 -2.4033 2.7813 0.0000 C.3 1 noname 0.0702 11 C8 7.3567 -4.1201 0.0000 C.3 1 noname 0.0701 12 O4 -3.8233 2.7813 0.0000 O.3 1 noname -0.3765 13 O5 7.8300 -5.4589 0.0000 O.3 1 noname -0.3792 14 C9 -4.2967 4.1201 0.0000 C.3 1 noname 0.0702 15 C10 9.2500 -5.4589 0.0000 C.3 1 noname 0.0440 16 C11 -5.8267 4.1201 0.0000 C.3 1 noname 0.0701 17 C12 9.7600 -6.9014 0.0000 C.3 1 noname -0.0416 18 O6 -6.3000 5.4589 0.0000 O.3 1 noname -0.3792 19 C13 -7.7200 5.4589 0.0000 C.3 1 noname 0.0440 20 C14 -8.2300 6.9014 0.0000 C.3 1 noname -0.0416 21 H1 1.8677 0.4278 0.9440 H 1 noname 0.0590 22 H2 1.8677 0.4278 -0.9440 H 1 noname 0.0590 23 H3 3.7141 -0.8778 -0.9440 H 1 noname 0.0590 24 H4 3.7141 -0.8778 0.9440 H 1 noname 0.0590 25 H5 -0.3377 -0.4278 -0.9440 H 1 noname 0.0590 26 H6 -0.3377 -0.4278 0.9440 H 1 noname 0.0590 27 H7 3.6425 -3.2422 0.9440 H 1 noname 0.0590 28 H8 3.6425 -3.2422 -0.9440 H 1 noname 0.0590 29 H9 -2.1841 0.8778 -0.9440 H 1 noname 0.0590 30 H10 -2.1841 0.8778 0.9440 H 1 noname 0.0590 31 H11 5.4890 -4.5479 0.9440 H 1 noname 0.0590 32 H12 5.4890 -4.5479 -0.9440 H 1 noname 0.0590 33 H13 -2.1125 3.2422 0.9440 H 1 noname 0.0590 34 H14 -2.1125 3.2422 -0.9440 H 1 noname 0.0590 35 H15 7.6943 -3.6923 -0.9440 H 1 noname 0.0590 36 H16 7.6943 -3.6923 0.9440 H 1 noname 0.0590 37 H17 -3.9590 4.5479 0.9440 H 1 noname 0.0590 38 H18 -3.9590 4.5479 -0.9440 H 1 noname 0.0590 39 H19 9.5408 -4.9979 -0.9440 H 1 noname 0.0563 40 H20 9.5408 -4.9979 0.9440 H 1 noname 0.0563 41 H21 -6.1643 3.6923 -0.9440 H 1 noname 0.0590 42 H22 -6.1643 3.6923 0.9440 H 1 noname 0.0590 43 H23 9.8811 -7.2439 1.0277 H 1 noname 0.0254 44 H24 9.0420 -7.5406 -0.5138 H 1 noname 0.0254 45 H25 10.7202 -6.9473 -0.5138 H 1 noname 0.0254 46 H26 -8.0108 4.9979 -0.9440 H 1 noname 0.0563 47 H27 -8.0108 4.9979 0.9440 H 1 noname 0.0563 48 H28 -8.3511 7.2439 1.0277 H 1 noname 0.0254 49 H29 -7.5120 7.5406 -0.5138 H 1 noname 0.0254 50 H30 -9.1902 6.9473 -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 18 19 1 19 19 20 1 20 2 21 1 21 2 22 1 22 3 23 1 23 3 24 1 24 4 25 1 25 4 26 1 26 5 27 1 27 5 28 1 28 8 29 1 29 8 30 1 30 9 31 1 31 9 32 1 32 10 33 1 33 10 34 1 34 11 35 1 35 11 36 1 36 14 37 1 37 14 38 1 38 15 39 1 39 15 40 1 40 16 41 1 41 16 42 1 42 17 43 1 43 17 44 1 44 17 45 1 45 19 46 1 46 19 47 1 47 20 48 1 48 20 49 1 49 20 50 1 @SUBSTRUCTURE 1 noname 1