@MOLECULE DB01528 34 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.5450 1.2095 -1.5163 O.3 1 noname -0.2793 2 C1 1.7843 1.4815 -0.2158 C.2 1 noname -0.0187 3 C2 0.1506 1.0273 -1.7129 C.3 1 noname 0.0423 4 C3 2.0296 0.4450 0.6773 C.2 1 noname -0.0268 5 C4 1.7854 2.7980 0.2301 C.2 1 noname -0.0290 6 C5 2.2760 0.7251 2.0164 C.2 1 noname -0.0264 7 C6 2.0285 -0.9378 0.2090 C.3 1 noname 0.0263 8 C7 2.0318 3.0781 1.5691 C.2 1 noname -0.0269 9 C8 2.2771 2.0416 2.4622 C.2 1 noname -0.0215 10 C9 3.4402 -1.3274 -0.2340 C.3 1 noname 0.0053 11 C10 2.0329 4.4609 2.0375 C.3 1 noname 0.0100 12 O2 2.5164 2.3136 3.7627 O.3 1 noname -0.2798 13 N1 3.4391 -2.7121 -0.7030 N.3 1 noname -0.3276 14 C11 3.8915 -0.4051 -1.3683 C.3 1 noname -0.0497 15 C12 3.9109 2.4958 3.9594 C.3 1 noname 0.0423 16 H1 -0.3474 0.9623 -0.7455 H 1 noname 0.0535 17 H2 -0.2509 1.8724 -2.2721 H 1 noname 0.0535 18 H3 -0.0204 0.1075 -2.2721 H 1 noname 0.0535 19 H4 1.5930 3.6108 -0.4702 H 1 noname 0.0653 20 H5 2.4684 -0.0877 2.7167 H 1 noname 0.0654 21 H6 1.7755 -1.5478 1.0762 H 1 noname 0.0332 22 H7 1.3899 -0.9547 -0.6742 H 1 noname 0.0332 23 H8 4.1349 -1.2747 0.6043 H 1 noname 0.0462 24 H9 2.0329 4.4754 3.1274 H 1 noname 0.0280 25 H10 2.9233 4.9692 1.6674 H 1 noname 0.0280 26 H11 1.1433 4.9706 1.6674 H 1 noname 0.0280 27 H12 2.5640 -3.1897 -0.8650 H 1 noname 0.1186 28 H13 4.3134 -3.1912 -0.8650 H 1 noname 0.1186 29 H14 4.2277 -1.0061 -2.2132 H 1 noname 0.0246 30 H15 3.0573 0.2239 -1.6789 H 1 noname 0.0246 31 H16 4.7111 0.2239 -1.0209 H 1 noname 0.0246 32 H17 4.1265 2.5239 5.0275 H 1 noname 0.0535 33 H18 4.4535 1.6691 3.5009 H 1 noname 0.0535 34 H19 4.2230 3.4341 3.5009 H 1 noname 0.0535 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 4 6 1 6 4 7 1 7 5 8 2 8 6 9 2 9 7 10 1 10 8 11 1 11 8 9 1 12 9 12 1 13 10 13 1 14 10 14 1 15 12 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 5 19 1 20 6 20 1 21 7 21 1 22 7 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 11 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1 34 15 34 1 @SUBSTRUCTURE 1 noname 1