@MOLECULE DB02580 44 43 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 0.0697 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 -0.3821 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 0.0357 16 C11 -5.8267 4.1201 0.0000 C.3 1 noname 0.0697 17 O6 -6.3000 5.4589 0.0000 O.3 1 noname -0.3821 18 C12 -7.7200 5.4589 0.0000 C.3 1 noname 0.0357 19 H1 1.8677 0.4278 0.9440 H 1 noname 0.0590 20 H2 1.8677 0.4278 -0.9440 H 1 noname 0.0590 21 H3 3.7141 -0.8778 -0.9440 H 1 noname 0.0590 22 H4 3.7141 -0.8778 0.9440 H 1 noname 0.0590 23 H5 -0.3377 -0.4278 -0.9440 H 1 noname 0.0590 24 H6 -0.3377 -0.4278 0.9440 H 1 noname 0.0590 25 H7 3.6425 -3.2422 0.9440 H 1 noname 0.0590 26 H8 3.6425 -3.2422 -0.9440 H 1 noname 0.0590 27 H9 -2.1841 0.8778 -0.9440 H 1 noname 0.0590 28 H10 -2.1841 0.8778 0.9440 H 1 noname 0.0590 29 H11 5.4890 -4.5479 0.9440 H 1 noname 0.0590 30 H12 5.4890 -4.5479 -0.9440 H 1 noname 0.0590 31 H13 -2.1125 3.2422 0.9440 H 1 noname 0.0590 32 H14 -2.1125 3.2422 -0.9440 H 1 noname 0.0590 33 H15 7.6943 -3.6923 -0.9440 H 1 noname 0.0590 34 H16 7.6943 -3.6923 0.9440 H 1 noname 0.0590 35 H17 -3.9590 4.5479 0.9440 H 1 noname 0.0590 36 H18 -3.9590 4.5479 -0.9440 H 1 noname 0.0590 37 H19 9.6133 -5.4589 1.0277 H 1 noname 0.0529 38 H20 9.6133 -6.3488 -0.5138 H 1 noname 0.0529 39 H21 9.6133 -4.5689 -0.5138 H 1 noname 0.0529 40 H22 -6.1643 3.6923 -0.9440 H 1 noname 0.0590 41 H23 -6.1643 3.6923 0.9440 H 1 noname 0.0590 42 H24 -8.0833 5.4589 1.0277 H 1 noname 0.0529 43 H25 -8.0833 6.3488 -0.5138 H 1 noname 0.0529 44 H26 -8.0833 4.5689 -0.5138 H 1 noname 0.0529 @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 16 17 1 17 17 18 1 18 2 19 1 19 2 20 1 20 3 21 1 21 3 22 1 22 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 8 27 1 27 8 28 1 28 9 29 1 29 9 30 1 30 10 31 1 31 10 32 1 32 11 33 1 33 11 34 1 34 14 35 1 35 14 36 1 36 15 37 1 37 15 38 1 38 15 39 1 39 16 40 1 40 16 41 1 41 18 42 1 42 18 43 1 43 18 44 1 @SUBSTRUCTURE 1 noname 1