@MOLECULE DB04093 34 33 1 SMALL USER_CHARGES @ATOM 1 O1 6.1200 -3.9415 0.0000 O.2 1 noname -0.3066 2 C1 5.5100 -2.8850 0.0000 C.2 1 noname 0.1230 3 C2 4.0800 -2.8850 0.0000 C.3 1 noname 0.0030 4 C3 3.5700 -1.4425 0.0000 C.3 1 noname -0.0467 5 C4 2.0400 -1.4425 0.0000 C.3 1 noname -0.0529 6 C5 1.5300 0.0000 0.0000 C.3 1 noname -0.0533 7 C6 0.0000 0.0000 0.0000 C.3 1 noname -0.0533 8 C7 -0.5100 1.4425 0.0000 C.3 1 noname -0.0533 9 C8 -2.0400 1.4425 0.0000 C.3 1 noname -0.0533 10 C9 -2.5500 2.8850 0.0000 C.3 1 noname -0.0535 11 C10 -4.0800 2.8850 0.0000 C.3 1 noname -0.0561 12 C11 -4.5900 4.3275 0.0000 C.3 1 noname -0.0654 13 H1 6.1783 -2.0239 0.0000 H 1 noname 0.1041 14 H2 3.7869 -3.3445 -0.9440 H 1 noname 0.0343 15 H3 3.7869 -3.3445 0.9440 H 1 noname 0.0343 16 H4 3.8847 -0.9975 0.9440 H 1 noname 0.0271 17 H5 3.8847 -0.9975 -0.9440 H 1 noname 0.0271 18 H6 1.7253 -1.8875 -0.9440 H 1 noname 0.0267 19 H7 1.7253 -1.8875 0.9440 H 1 noname 0.0267 20 H8 1.8447 0.4450 0.9440 H 1 noname 0.0266 21 H9 1.8447 0.4450 -0.9440 H 1 noname 0.0266 22 H10 -0.3147 -0.4450 -0.9440 H 1 noname 0.0266 23 H11 -0.3147 -0.4450 0.9440 H 1 noname 0.0266 24 H12 -0.1953 1.8875 0.9440 H 1 noname 0.0266 25 H13 -0.1953 1.8875 -0.9440 H 1 noname 0.0266 26 H14 -2.3547 0.9975 -0.9440 H 1 noname 0.0266 27 H15 -2.3547 0.9975 0.9440 H 1 noname 0.0266 28 H16 -2.2353 3.3300 0.9440 H 1 noname 0.0266 29 H17 -2.2353 3.3300 -0.9440 H 1 noname 0.0266 30 H18 -4.3947 2.4400 -0.9440 H 1 noname 0.0264 31 H19 -4.3947 2.4400 0.9440 H 1 noname 0.0264 32 H20 -4.7111 4.6700 1.0277 H 1 noname 0.0230 33 H21 -3.8720 4.9667 -0.5138 H 1 noname 0.0230 34 H22 -5.5502 4.3734 -0.5138 H 1 noname 0.0230 @BOND 1 1 2 2 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 10 11 1 11 11 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 11 30 1 30 11 31 1 31 12 32 1 32 12 33 1 33 12 34 1 @SUBSTRUCTURE 1 noname 1