@MOLECULE 86278188 43 42 1 SMALL USER_CHARGES @ATOM 1 N1 -6.0520 4.3275 0.0000 N.3 1 noname -0.3304 2 C1 1.5300 0.0000 0.0000 C.3 1 noname -0.0533 3 C2 0.0000 0.0000 0.0000 C.3 1 noname -0.0533 4 C3 2.0400 -1.4425 0.0000 C.3 1 noname -0.0533 5 C4 -0.5100 1.4425 0.0000 C.3 1 noname -0.0533 6 C5 3.5700 -1.4425 0.0000 C.3 1 noname -0.0533 7 C6 -2.0400 1.4425 0.0000 C.3 1 noname -0.0532 8 C7 4.0800 -2.8850 0.0000 C.3 1 noname -0.0533 9 C8 -2.5500 2.8850 0.0000 C.3 1 noname -0.0521 10 C9 5.6100 -2.8850 0.0000 C.3 1 noname -0.0535 11 C10 -4.0800 2.8850 0.0000 C.3 1 noname -0.0409 12 C11 6.1200 -4.3275 0.0000 C.3 1 noname -0.0561 13 C12 -4.5900 4.3275 0.0000 C.3 1 noname -0.0076 14 C13 7.6500 -4.3275 0.0000 C.3 1 noname -0.0654 15 H1 1.8933 0.5138 0.8900 H 1 noname 0.0266 16 H2 1.8933 0.5138 -0.8900 H 1 noname 0.0266 17 H3 -0.3633 -0.5138 -0.8900 H 1 noname 0.0266 18 H4 -0.3633 -0.5138 0.8900 H 1 noname 0.0266 19 H5 1.6767 -1.9563 -0.8900 H 1 noname 0.0266 20 H6 1.6767 -1.9563 0.8900 H 1 noname 0.0266 21 H7 -0.1467 1.9563 -0.8900 H 1 noname 0.0266 22 H8 -0.1467 1.9563 0.8900 H 1 noname 0.0266 23 H9 3.9333 -0.9287 -0.8900 H 1 noname 0.0266 24 H10 3.9333 -0.9287 0.8900 H 1 noname 0.0266 25 H11 -2.4033 0.9287 -0.8900 H 1 noname 0.0266 26 H12 -2.4033 0.9287 0.8900 H 1 noname 0.0266 27 H13 3.7167 -3.3988 -0.8900 H 1 noname 0.0266 28 H14 3.7167 -3.3988 0.8900 H 1 noname 0.0266 29 H15 -2.1867 3.3988 -0.8900 H 1 noname 0.0267 30 H16 -2.1867 3.3988 0.8900 H 1 noname 0.0267 31 H17 5.9733 -2.3712 -0.8900 H 1 noname 0.0266 32 H18 5.9733 -2.3712 0.8900 H 1 noname 0.0266 33 H19 -4.4433 2.3712 -0.8900 H 1 noname 0.0279 34 H20 -4.4433 2.3712 0.8900 H 1 noname 0.0279 35 H21 5.7567 -4.8413 -0.8900 H 1 noname 0.0264 36 H22 5.7567 -4.8413 0.8900 H 1 noname 0.0264 37 H23 -4.2267 4.8413 -0.8900 H 1 noname 0.0425 38 H24 -4.2267 4.8413 0.8900 H 1 noname 0.0425 39 H25 8.0133 -5.3552 0.0000 H 1 noname 0.0230 40 H26 8.0133 -3.8137 -0.8900 H 1 noname 0.0230 41 H27 8.0133 -3.8137 0.8900 H 1 noname 0.0230 42 H28 -6.3927 5.2910 0.0000 H 1 noname 0.1184 43 H29 -6.3927 3.8457 -0.8345 H 1 noname 0.1184 @BOND 1 1 13 1 2 1 42 1 3 1 43 1 4 2 3 1 5 2 4 1 6 2 15 1 7 2 16 1 8 3 5 1 9 3 17 1 10 3 18 1 11 4 6 1 12 4 19 1 13 4 20 1 14 5 7 1 15 5 21 1 16 5 22 1 17 6 8 1 18 6 23 1 19 6 24 1 20 7 9 1 21 7 25 1 22 7 26 1 23 8 10 1 24 8 27 1 25 8 28 1 26 9 11 1 27 9 29 1 28 9 30 1 29 10 12 1 30 10 31 1 31 10 32 1 32 11 13 1 33 11 33 1 34 11 34 1 35 12 14 1 36 12 35 1 37 12 36 1 38 13 37 1 39 13 38 1 40 14 39 1 41 14 40 1 42 14 41 1 @SUBSTRUCTURE 1 noname 1