@MOLECULE DB03354 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.2839 -0.5626 0.8123 O.3 1 noname -0.3582 2 C1 -0.0714 -1.0215 0.1145 C.3 1 noname 0.1529 3 C2 -1.1854 -0.2240 2.2208 C.3 1 noname 0.1102 4 C3 -0.1235 -0.5560 -1.2819 C.2 1 noname 0.1418 5 C4 1.3024 -0.5090 0.6686 C.3 1 noname 0.1166 6 C5 -0.0201 0.7674 2.5365 C.3 1 noname 0.1110 7 C6 -2.5097 0.3782 2.6944 C.3 1 noname 0.0721 8 O2 -0.0386 0.7347 -1.6723 O.3 1 noname -0.2914 9 N1 -0.1678 -1.3402 -2.3690 N.2 1 noname -0.1101 10 O3 1.8717 -1.4994 1.5121 O.3 1 noname -0.3870 11 C7 1.1138 0.8036 1.4683 C.3 1 noname 0.1115 12 O4 0.5352 0.4564 3.8058 O.3 1 noname -0.3874 13 O5 -3.5533 -0.5663 2.5065 O.3 1 noname -0.3934 14 C8 -0.0022 0.7115 -3.0189 C.2 1 noname 0.1468 15 N2 -0.0884 -0.5771 -3.4056 N.2 1 noname -0.1310 16 O6 0.8820 1.8771 0.5681 O.3 1 noname -0.3874 17 C9 0.1100 1.8708 -3.8991 C.3 1 noname 0.0920 18 H1 -0.1536 -2.1029 0.2231 H 1 noname 0.0723 19 H2 -0.9881 -1.1854 2.6951 H 1 noname 0.0656 20 H3 2.0309 -0.3695 -0.1301 H 1 noname 0.0661 21 H4 -0.4353 1.7711 2.6272 H 1 noname 0.0657 22 H5 -2.4455 0.5301 3.7719 H 1 noname 0.0591 23 H6 -2.7535 1.2149 2.0397 H 1 noname 0.0591 24 H7 1.7321 -1.2565 2.4303 H 1 noname 0.2107 25 H8 2.0545 1.0237 1.9730 H 1 noname 0.0657 26 H9 0.5809 -0.4968 3.9103 H 1 noname 0.2106 27 H10 -3.8772 -0.8595 3.3613 H 1 noname 0.2101 28 H11 0.7086 2.6798 1.0652 H 1 noname 0.2106 29 H12 0.1977 2.7761 -3.2983 H 1 noname 0.0318 30 H13 0.9939 1.7652 -4.5281 H 1 noname 0.0318 31 H14 -0.7777 1.9368 -4.5281 H 1 noname 0.0318 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 9 2 9 5 10 1 10 5 11 1 11 6 12 1 12 6 11 1 13 7 13 1 14 8 14 1 15 9 15 1 16 11 16 1 17 14 17 1 18 14 15 2 19 2 18 1 20 3 19 1 21 5 20 1 22 6 21 1 23 7 22 1 24 7 23 1 25 10 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 16 28 1 30 17 29 1 31 17 30 1 32 17 31 1 @SUBSTRUCTURE 1 noname 1