@MOLECULE 90479620 39 38 1 SMALL USER_CHARGES @ATOM 1 N1 -1.9720 1.4425 0.0000 N.3 1 noname -0.3166 2 N2 -5.9613 4.2634 0.0000 N.3 1 noname -0.3304 3 C1 2.0400 -1.4425 0.0000 C.3 1 noname -0.0532 4 C2 1.5300 0.0000 0.0000 C.3 1 noname -0.0521 5 C3 3.5700 -1.4425 0.0000 C.3 1 noname -0.0533 6 C4 0.0000 0.0000 0.0000 C.3 1 noname -0.0406 7 C5 4.0800 -2.8850 0.0000 C.3 1 noname -0.0535 8 C6 -0.5100 1.4425 0.0000 C.3 1 noname -0.0048 9 C7 5.6100 -2.8850 0.0000 C.3 1 noname -0.0561 10 C8 -2.4593 2.8209 0.0000 C.3 1 noname -0.0036 11 C9 -3.9893 2.8209 0.0000 C.3 1 noname -0.0283 12 C10 6.1200 -4.3275 0.0000 C.3 1 noname -0.0654 13 C11 -4.4993 4.2634 0.0000 C.3 1 noname -0.0064 14 H1 1.6767 -1.9563 0.8900 H 1 noname 0.0266 15 H2 1.6767 -1.9563 -0.8900 H 1 noname 0.0266 16 H3 1.8933 0.5138 -0.8900 H 1 noname 0.0267 17 H4 1.8933 0.5138 0.8900 H 1 noname 0.0267 18 H5 3.9333 -0.9287 -0.8900 H 1 noname 0.0266 19 H6 3.9333 -0.9287 0.8900 H 1 noname 0.0266 20 H7 -0.3633 -0.5138 -0.8900 H 1 noname 0.0279 21 H8 -0.3633 -0.5138 0.8900 H 1 noname 0.0279 22 H9 3.7167 -3.3988 -0.8900 H 1 noname 0.0266 23 H10 3.7167 -3.3988 0.8900 H 1 noname 0.0266 24 H11 -0.1467 1.9563 -0.8900 H 1 noname 0.0427 25 H12 -0.1467 1.9563 0.8900 H 1 noname 0.0427 26 H13 5.9733 -2.3712 -0.8900 H 1 noname 0.0264 27 H14 5.9733 -2.3712 0.8900 H 1 noname 0.0264 28 H15 -2.3127 0.9607 0.8345 H 1 noname 0.1222 29 H16 -2.0960 3.3347 -0.8900 H 1 noname 0.0428 30 H17 -2.0960 3.3347 0.8900 H 1 noname 0.0428 31 H18 -4.3527 2.3071 -0.8900 H 1 noname 0.0292 32 H19 -4.3527 2.3071 0.8900 H 1 noname 0.0292 33 H20 7.2100 -4.3275 0.0000 H 1 noname 0.0230 34 H21 5.7567 -4.8413 -0.8900 H 1 noname 0.0230 35 H22 5.7567 -4.8413 0.8900 H 1 noname 0.0230 36 H23 -4.1360 4.7772 -0.8900 H 1 noname 0.0426 37 H24 -4.1360 4.7772 0.8900 H 1 noname 0.0426 38 H25 -6.3020 5.2269 0.0000 H 1 noname 0.1184 39 H26 -6.3020 3.7816 -0.8345 H 1 noname 0.1184 @BOND 1 1 8 1 2 1 10 1 3 1 28 1 4 2 13 1 5 2 38 1 6 2 39 1 7 3 4 1 8 3 5 1 9 3 14 1 10 3 15 1 11 4 6 1 12 4 16 1 13 4 17 1 14 5 7 1 15 5 18 1 16 5 19 1 17 6 8 1 18 6 20 1 19 6 21 1 20 7 9 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 12 1 26 9 26 1 27 9 27 1 28 10 11 1 29 10 29 1 30 10 30 1 31 11 13 1 32 11 31 1 33 11 32 1 34 12 33 1 35 12 34 1 36 12 35 1 37 13 36 1 38 13 37 1 @SUBSTRUCTURE 1 noname 1