@MOLECULE 91810499 30 32 1 SMALL USER_CHARGES @ATOM 1 N1 -1.3739 3.7535 -1.1823 N.3 1 noname -0.2934 2 N2 -1.3737 3.0911 1.4573 N.3 1 noname -0.3135 3 C1 -2.3808 2.6690 -0.8363 C.3 1 noname 0.0476 4 C2 -1.1447 4.0509 -2.6240 C.3 1 noname 0.0030 5 C3 -2.5261 2.5052 0.7300 C.3 1 noname 0.0151 6 C4 -1.2414 4.9608 -0.3162 C.3 1 noname 0.0114 7 C5 -3.6523 2.7554 -1.6495 C.2 1 noname -0.0491 8 C6 -2.4375 4.1593 -3.4612 C.3 1 noname 0.0157 9 C7 -3.6228 3.4455 -2.9293 C.2 1 noname -0.0469 10 C8 -1.2319 4.5490 1.1871 C.3 1 noname 0.0081 11 C9 -4.8677 2.1131 -1.2336 C.2 1 noname -0.0529 12 C10 -4.7688 3.4882 -3.7654 C.2 1 noname -0.0611 13 C11 -6.0171 2.1769 -2.0632 C.2 1 noname -0.0658 14 C12 -5.9647 2.8530 -3.3182 C.2 1 noname -0.0622 15 H1 -1.9026 1.7428 -1.1652 H 1 noname 0.0531 16 H2 -0.4964 3.2874 -3.0539 H 1 noname 0.0434 17 H3 -0.6047 4.9929 -2.7186 H 1 noname 0.0434 18 H4 -3.4470 2.9849 1.0616 H 1 noname 0.0447 19 H5 -2.6145 1.4424 0.9552 H 1 noname 0.0447 20 H6 -2.0770 5.6354 -0.5028 H 1 noname 0.0444 21 H7 -0.3688 5.5511 -0.5959 H 1 noname 0.0444 22 H8 -2.6844 5.2099 -3.6140 H 1 noname 0.0329 23 H9 -2.2554 3.8296 -4.4841 H 1 noname 0.0329 24 H10 -2.0119 5.0946 1.7182 H 1 noname 0.0441 25 H11 -0.3528 4.9728 1.6728 H 1 noname 0.0441 26 H12 -1.4923 2.9407 2.4612 H 1 noname 0.1223 27 H13 -4.9045 1.6129 -0.3454 H 1 noname 0.0626 28 H14 -4.7376 3.9633 -4.6675 H 1 noname 0.0625 29 H15 -6.8860 1.7368 -1.7604 H 1 noname 0.0622 30 H16 -6.7975 2.8826 -3.9062 H 1 noname 0.0622 @BOND 1 1 3 1 2 1 4 1 3 1 6 1 4 2 5 1 5 2 10 1 6 2 26 1 7 3 5 1 8 3 7 1 9 3 15 1 10 4 8 1 11 4 16 1 12 4 17 1 13 5 18 1 14 5 19 1 15 6 10 1 16 6 20 1 17 6 21 1 18 7 9 1 19 7 11 2 20 8 9 1 21 8 22 1 22 8 23 1 23 9 12 2 24 10 24 1 25 10 25 1 26 11 13 1 27 11 27 1 28 12 14 1 29 12 28 1 30 13 14 2 31 13 29 1 32 14 30 1 @SUBSTRUCTURE 1 noname 1