@MOLECULE DB03600 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 5.2856 -3.0474 0.0000 O.2 1 noname -0.2559 2 C1 4.0567 -2.8190 0.0000 C.2 1 noname 0.1348 3 O2 3.1794 -3.8451 0.0000 O.3 1 noname -0.2189 4 C2 3.5700 -1.4425 0.0000 C.3 1 noname 0.0335 5 C3 2.0400 -1.4425 0.0000 C.3 1 noname -0.0439 6 C4 1.5300 0.0000 0.0000 C.3 1 noname -0.0528 7 C5 0.0000 0.0000 0.0000 C.3 1 noname -0.0533 8 C6 -0.5100 1.4425 0.0000 C.3 1 noname -0.0533 9 C7 -2.0400 1.4425 0.0000 C.3 1 noname -0.0533 10 C8 -2.5500 2.8850 0.0000 C.3 1 noname -0.0535 11 C9 -4.0800 2.8850 0.0000 C.3 1 noname -0.0561 12 C10 -4.5900 4.3275 0.0000 C.3 1 noname -0.0654 13 H1 2.9715 -4.0883 0.9051 H 1 noname 0.2213 14 H2 3.8992 -1.0082 0.9440 H 1 noname 0.0372 15 H3 3.8992 -1.0082 -0.9440 H 1 noname 0.0372 16 H4 1.7253 -1.8875 -0.9440 H 1 noname 0.0272 17 H5 1.7253 -1.8875 0.9440 H 1 noname 0.0272 18 H6 1.8447 0.4450 0.9440 H 1 noname 0.0267 19 H7 1.8447 0.4450 -0.9440 H 1 noname 0.0267 20 H8 -0.3147 -0.4450 -0.9440 H 1 noname 0.0266 21 H9 -0.3147 -0.4450 0.9440 H 1 noname 0.0266 22 H10 -0.1953 1.8875 0.9440 H 1 noname 0.0266 23 H11 -0.1953 1.8875 -0.9440 H 1 noname 0.0266 24 H12 -2.3547 0.9975 -0.9440 H 1 noname 0.0266 25 H13 -2.3547 0.9975 0.9440 H 1 noname 0.0266 26 H14 -2.2353 3.3300 0.9440 H 1 noname 0.0266 27 H15 -2.2353 3.3300 -0.9440 H 1 noname 0.0266 28 H16 -4.3947 2.4400 -0.9440 H 1 noname 0.0264 29 H17 -4.3947 2.4400 0.9440 H 1 noname 0.0264 30 H18 -4.7111 4.6700 1.0277 H 1 noname 0.0230 31 H19 -3.8720 4.9667 -0.5138 H 1 noname 0.0230 32 H20 -5.5502 4.3734 -0.5138 H 1 noname 0.0230 @BOND 1 1 2 2 2 2 3 1 3 2 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 3 13 1 13 4 14 1 14 4 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 @SUBSTRUCTURE 1 noname 1