@MOLECULE DB03490 29 32 1 SMALL USER_CHARGES @ATOM 1 N1 5.4535 3.3462 -1.2028 N.2 1 noname -0.2527 2 C1 5.4454 1.9978 -0.8990 C.2 1 noname 0.0038 3 C2 4.3550 4.1936 -1.2166 C.2 1 noname 0.0038 4 C3 4.2047 1.4084 -0.5670 C.2 1 noname -0.0080 5 C4 3.0841 3.6471 -0.8896 C.2 1 noname -0.0080 6 C5 3.0223 2.2414 -0.5616 C.2 1 noname -0.0124 7 C6 1.7788 1.6758 -0.2267 C.2 1 noname -0.0668 8 N2 0.5766 2.3031 -0.1744 N.3 1 noname -0.0338 9 C7 1.5134 0.3567 0.0953 C.2 1 noname 0.0237 10 N3 -0.3994 1.4853 0.1007 N.2 1 noname -0.3090 11 C8 0.1665 0.2792 0.2045 C.2 1 noname 0.0398 12 C9 2.2322 -0.9175 0.2345 C.3 1 noname 0.0624 13 C10 -0.1747 -1.0501 0.2407 C.2 1 noname -0.0272 14 C11 1.0470 -1.7846 0.2301 C.2 1 noname -0.0241 15 C12 -1.4488 -1.6711 0.1364 C.2 1 noname -0.0310 16 C13 1.0501 -3.2026 0.1287 C.2 1 noname -0.0507 17 C14 -1.4397 -3.0930 0.0180 C.2 1 noname -0.0563 18 C15 -0.2216 -3.8439 0.0159 C.2 1 noname -0.0490 19 H1 6.3733 1.4264 -0.9203 H 1 noname 0.0839 20 H2 4.4850 5.2448 -1.4737 H 1 noname 0.0839 21 H3 4.1611 0.3469 -0.3233 H 1 noname 0.0645 22 H4 2.1956 4.2786 -0.8903 H 1 noname 0.0645 23 H5 0.4223 3.2896 -0.3266 H 1 noname 0.1754 24 H6 2.8193 -1.1025 -0.6651 H 1 noname 0.0367 25 H7 2.7081 -0.9600 1.2142 H 1 noname 0.0367 26 H8 -2.3734 -1.0939 0.1466 H 1 noname 0.0629 27 H9 1.9809 -3.7698 0.1369 H 1 noname 0.0625 28 H10 -2.3895 -3.6200 -0.0733 H 1 noname 0.0622 29 H11 -0.2633 -4.9294 -0.0737 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 3 5 2 5 4 6 2 6 5 6 1 7 6 7 1 8 7 8 1 9 7 9 2 10 8 10 1 11 9 11 1 12 9 12 1 13 10 11 2 14 11 13 1 15 12 14 1 16 13 15 1 17 13 14 2 18 14 16 1 19 15 17 2 20 16 18 2 21 17 18 1 22 2 19 1 23 3 20 1 24 4 21 1 25 5 22 1 26 8 23 1 27 12 24 1 28 12 25 1 29 15 26 1 30 16 27 1 31 17 28 1 32 18 29 1 @SUBSTRUCTURE 1 noname 1