@MOLECULE DB03143 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 5.5000 -2.8850 0.0000 O.3 1 noname -0.3962 2 C1 4.0800 -2.8850 0.0000 C.3 1 noname 0.0432 3 C2 3.5700 -1.4425 0.0000 C.3 1 noname -0.0299 4 C3 2.0400 -1.4425 0.0000 C.3 1 noname -0.0511 5 C4 1.5300 0.0000 0.0000 C.3 1 noname -0.0532 6 C5 0.0000 0.0000 0.0000 C.3 1 noname -0.0533 7 C6 -0.5100 1.4425 0.0000 C.3 1 noname -0.0533 8 C7 -2.0400 1.4425 0.0000 C.3 1 noname -0.0535 9 C8 -2.5500 2.8850 0.0000 C.3 1 noname -0.0561 10 C9 -4.0800 2.8850 0.0000 C.3 1 noname -0.0654 11 H1 5.8200 -2.8850 0.9051 H 1 noname 0.2100 12 H2 3.7892 -3.3459 -0.9440 H 1 noname 0.0563 13 H3 3.7892 -3.3459 0.9440 H 1 noname 0.0563 14 H4 3.8847 -0.9975 0.9440 H 1 noname 0.0290 15 H5 3.8847 -0.9975 -0.9440 H 1 noname 0.0290 16 H6 1.7253 -1.8875 -0.9440 H 1 noname 0.0267 17 H7 1.7253 -1.8875 0.9440 H 1 noname 0.0267 18 H8 1.8447 0.4450 0.9440 H 1 noname 0.0266 19 H9 1.8447 0.4450 -0.9440 H 1 noname 0.0266 20 H10 -0.3147 -0.4450 -0.9440 H 1 noname 0.0266 21 H11 -0.3147 -0.4450 0.9440 H 1 noname 0.0266 22 H12 -0.1953 1.8875 0.9440 H 1 noname 0.0266 23 H13 -0.1953 1.8875 -0.9440 H 1 noname 0.0266 24 H14 -2.3547 0.9975 -0.9440 H 1 noname 0.0266 25 H15 -2.3547 0.9975 0.9440 H 1 noname 0.0266 26 H16 -2.2353 3.3300 0.9440 H 1 noname 0.0264 27 H17 -2.2353 3.3300 -0.9440 H 1 noname 0.0264 28 H18 -4.4433 2.8850 1.0277 H 1 noname 0.0230 29 H19 -4.4433 3.7750 -0.5138 H 1 noname 0.0230 30 H20 -4.4433 1.9950 -0.5138 H 1 noname 0.0230 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 4 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1 @SUBSTRUCTURE 1 noname 1