@MOLECULE DB06711 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 4.1022 -1.8958 -0.9590 N.2 1 noname -0.2674 2 C1 3.3903 -1.1797 -0.1719 C.2 1 noname -0.0723 3 C2 5.4283 -1.5624 -0.9227 C.3 1 noname 0.0534 4 N2 4.1236 -0.2843 0.4460 N.3 1 noname -0.1303 5 C3 1.9957 -1.3936 0.0870 C.3 1 noname 0.0254 6 C4 5.4751 -0.4642 0.1344 C.3 1 noname 0.0208 7 C5 1.0957 -0.2339 -0.1315 C.2 1 noname -0.0377 8 C6 0.4327 0.0362 -1.3673 C.2 1 noname -0.0356 9 C7 0.8608 0.6251 0.9845 C.2 1 noname -0.0501 10 C8 -0.4513 1.1972 -1.4629 C.2 1 noname -0.0393 11 C9 0.5938 -0.8102 -2.5192 C.2 1 noname -0.0458 12 C10 -0.0002 1.7452 0.8935 C.2 1 noname -0.0548 13 C11 -0.6548 2.0377 -0.3265 C.2 1 noname -0.0470 14 C12 -1.1371 1.5137 -2.6686 C.2 1 noname -0.0473 15 C13 -0.0888 -0.4950 -3.7166 C.2 1 noname -0.0566 16 C14 -0.9320 0.6469 -3.7838 C.2 1 noname -0.0569 17 H1 5.9594 -2.4432 -0.5618 H 1 noname 0.0528 18 H2 5.6691 -1.1432 -1.8996 H 1 noname 0.0528 19 H3 3.7207 0.4163 1.0516 H 1 noname 0.1293 20 H4 1.6947 -2.1475 -0.6404 H 1 noname 0.0392 21 H5 1.9459 -1.6145 1.1532 H 1 noname 0.0392 22 H6 5.9602 -0.8453 1.0331 H 1 noname 0.0451 23 H7 5.8222 0.4635 -0.3206 H 1 noname 0.0451 24 H8 1.3536 0.4195 1.9347 H 1 noname 0.0625 25 H9 1.2341 -1.6916 -2.4846 H 1 noname 0.0629 26 H10 -0.1591 2.3827 1.7632 H 1 noname 0.0622 27 H11 -1.3119 2.9050 -0.3904 H 1 noname 0.0629 28 H12 -1.7916 2.3828 -2.7351 H 1 noname 0.0629 29 H13 0.0354 -1.1344 -4.5906 H 1 noname 0.0622 30 H14 -1.4391 0.8656 -4.7236 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 4 6 1 7 5 7 1 8 7 8 1 9 7 9 2 10 8 10 1 11 8 11 2 12 9 12 1 13 10 13 1 14 10 14 2 15 11 15 1 16 12 13 2 17 14 16 1 18 15 16 2 19 3 17 1 20 3 18 1 21 4 19 1 22 5 20 1 23 5 21 1 24 6 22 1 25 6 23 1 26 9 24 1 27 11 25 1 28 12 26 1 29 13 27 1 30 14 28 1 31 15 29 1 32 16 30 1 @SUBSTRUCTURE 1 noname 1