@MOLECULE DB02078 30 29 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 0.0697 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 -0.3821 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 0.0357 10 C7 -2.4033 2.7813 0.0000 C.3 1 noname 0.0697 11 O4 -3.8233 2.7813 0.0000 O.3 1 noname -0.3821 12 C8 -4.2967 4.1201 0.0000 C.3 1 noname 0.0357 13 H1 1.8677 0.4278 0.9440 H 1 noname 0.0590 14 H2 1.8677 0.4278 -0.9440 H 1 noname 0.0590 15 H3 3.7141 -0.8778 -0.9440 H 1 noname 0.0590 16 H4 3.7141 -0.8778 0.9440 H 1 noname 0.0590 17 H5 -0.3377 -0.4278 -0.9440 H 1 noname 0.0590 18 H6 -0.3377 -0.4278 0.9440 H 1 noname 0.0590 19 H7 3.6425 -3.2422 0.9440 H 1 noname 0.0590 20 H8 3.6425 -3.2422 -0.9440 H 1 noname 0.0590 21 H9 -2.1841 0.8778 -0.9440 H 1 noname 0.0590 22 H10 -2.1841 0.8778 0.9440 H 1 noname 0.0590 23 H11 5.9478 -4.4626 1.0277 H 1 noname 0.0529 24 H12 5.1087 -4.7593 -0.5138 H 1 noname 0.0529 25 H13 6.7869 -4.1660 -0.5138 H 1 noname 0.0529 26 H14 -2.1125 3.2422 0.9440 H 1 noname 0.0590 27 H15 -2.1125 3.2422 -0.9440 H 1 noname 0.0590 28 H16 -4.4178 4.4626 1.0277 H 1 noname 0.0529 29 H17 -3.5787 4.7593 -0.5138 H 1 noname 0.0529 30 H18 -5.2569 4.1660 -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 10 11 1 11 11 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 4 17 1 17 4 18 1 18 5 19 1 19 5 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 12 28 1 28 12 29 1 29 12 30 1 @SUBSTRUCTURE 1 noname 1