@MOLECULE DB02586 28 30 1 SMALL USER_CHARGES @ATOM 1 N1 1.3871 0.0347 0.1071 N.2 1 noname -0.2424 2 C1 0.0174 -0.0367 -0.0349 C.2 1 noname 0.0347 3 C2 2.0898 1.2044 -0.0274 C.2 1 noname -0.0053 4 C3 -0.6724 -1.2717 -0.0110 C.2 1 noname 0.0347 5 C4 -0.7352 1.1655 -0.2878 C.2 1 noname 0.0086 6 C5 1.4030 2.4118 -0.3172 C.2 1 noname -0.0293 7 N2 0.0099 -2.4613 0.0828 N.2 1 noname -0.2424 8 C6 -2.1012 -1.2793 -0.1721 C.2 1 noname 0.0086 9 C7 -0.0149 2.3803 -0.4275 C.2 1 noname -0.0267 10 C8 -2.1480 1.1585 -0.3932 C.2 1 noname -0.0384 11 C9 -0.6111 -3.6834 0.0226 C.2 1 noname -0.0053 12 C10 -2.7562 -2.5397 -0.2371 C.2 1 noname -0.0267 13 C11 -2.8403 -0.0743 -0.3133 C.2 1 noname -0.0384 14 C12 -0.7418 3.6192 -0.6889 C.3 1 noname 0.0040 15 C13 -2.0201 -3.7537 -0.1282 C.2 1 noname -0.0293 16 C14 -4.2041 -2.5898 -0.4182 C.3 1 noname 0.0040 17 H1 3.1726 1.1750 0.0936 H 1 noname 0.0839 18 H2 1.9527 3.3433 -0.4520 H 1 noname 0.0641 19 H3 -2.6956 2.0903 -0.5341 H 1 noname 0.0630 20 H4 0.0031 -4.5810 0.0933 H 1 noname 0.0839 21 H5 -3.9291 -0.0955 -0.3600 H 1 noname 0.0630 22 H6 -1.0158 4.0862 0.2570 H 1 noname 0.0280 23 H7 -0.1085 4.2985 -1.2595 H 1 noname 0.0280 24 H8 -1.6437 3.3978 -1.2595 H 1 noname 0.0280 25 H9 -2.5257 -4.7188 -0.1598 H 1 noname 0.0641 26 H10 -4.6918 -2.6067 0.5565 H 1 noname 0.0280 27 H11 -4.5315 -1.7106 -0.9731 H 1 noname 0.0280 28 H12 -4.4700 -3.4895 -0.9731 H 1 noname 0.0280 @BOND 1 1 2 1 2 1 3 2 3 2 4 2 4 2 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 5 10 2 10 6 9 2 11 7 11 2 12 8 12 1 13 8 13 2 14 9 14 1 15 10 13 1 16 11 15 1 17 12 16 1 18 12 15 2 19 3 17 1 20 6 18 1 21 10 19 1 22 11 20 1 23 13 21 1 24 14 22 1 25 14 23 1 26 14 24 1 27 15 25 1 28 16 26 1 29 16 27 1 30 16 28 1 @SUBSTRUCTURE 1 noname 1