@MOLECULE DB07009 32 35 1 SMALL USER_CHARGES @ATOM 1 O1 1.3567 -0.0130 -0.0371 O.3 1 noname -0.3425 2 C1 1.7508 1.2872 -0.0969 C.2 1 noname 0.1190 3 C2 0.0141 -0.0049 0.1260 C.2 1 noname 0.0572 4 N1 0.6856 2.1090 0.0317 N.2 1 noname -0.1895 5 C3 3.0637 1.7110 -0.2663 C.2 1 noname -0.0007 6 C4 -0.4049 1.3352 0.1402 C.2 1 noname 0.0391 7 C5 -0.9086 -1.0937 0.1965 C.2 1 noname 0.0360 8 C6 3.3549 3.0694 -0.3136 C.2 1 noname 0.0009 9 C7 4.0854 0.7766 -0.3886 C.2 1 noname -0.0107 10 C8 -1.7902 1.6959 0.1759 C.2 1 noname 0.0080 11 C9 -2.2923 -0.7483 0.2614 C.2 1 noname 0.0219 12 C10 4.6678 3.4933 -0.4830 C.2 1 noname -0.0089 13 C11 2.3332 4.0039 -0.1913 C.2 1 noname -0.0503 14 C12 5.3983 1.2004 -0.5580 C.2 1 noname -0.0399 15 C13 -2.7245 0.6187 0.2367 C.2 1 noname -0.0069 16 O2 -3.2144 -1.7306 0.3478 O.3 1 noname -0.2835 17 C14 4.9590 4.8516 -0.5302 C.2 1 noname 0.0114 18 C15 5.6895 2.5588 -0.6053 C.2 1 noname -0.0159 19 C16 2.6243 5.3622 -0.2385 C.2 1 noname -0.0465 20 O3 6.2341 5.2633 -0.6948 O.3 1 noname -0.2826 21 C17 3.9373 5.7861 -0.4080 C.2 1 noname -0.0279 22 H1 -0.5749 -2.1314 0.2006 H 1 noname 0.0678 23 H2 3.8571 -0.2886 -0.3516 H 1 noname 0.0630 24 H3 -2.1163 2.7358 0.1577 H 1 noname 0.0647 25 H4 1.3036 3.6715 -0.0584 H 1 noname 0.0629 26 H5 6.1995 0.4677 -0.6539 H 1 noname 0.0623 27 H6 -3.7904 0.8448 0.2649 H 1 noname 0.0650 28 H7 -3.3933 -1.9212 1.2715 H 1 noname 0.2181 29 H8 6.7191 2.8912 -0.7381 H 1 noname 0.0630 30 H9 1.8231 6.0950 -0.1427 H 1 noname 0.0623 31 H10 6.6414 5.3947 0.1645 H 1 noname 0.2182 32 H11 4.1656 6.8512 -0.4450 H 1 noname 0.0650 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 1 9 5 9 2 10 6 10 1 11 7 11 2 12 8 12 1 13 8 13 2 14 9 14 1 15 10 15 2 16 11 16 1 17 11 15 1 18 12 17 2 19 12 18 1 20 13 19 1 21 14 18 2 22 17 20 1 23 17 21 1 24 19 21 2 25 7 22 1 26 9 23 1 27 10 24 1 28 13 25 1 29 14 26 1 30 15 27 1 31 16 28 1 32 18 29 1 33 19 30 1 34 20 31 1 35 21 32 1 @SUBSTRUCTURE 1 noname 1