@MOLECULE 86278251 46 45 1 SMALL USER_CHARGES @ATOM 1 N1 -4.5673 4.2634 0.0000 N.3 1 noname -0.3093 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 -0.0532 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 -0.0521 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 -0.0404 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 -0.0024 12 C11 6.1200 -4.3275 0.0000 C.3 1 noname -0.0561 13 C12 7.6500 -4.3275 0.0000 C.3 1 noname -0.0654 14 C13 -6.0293 4.2634 0.0000 C.3 1 noname -0.0136 15 C14 -4.0800 4.9526 -1.1937 C.3 1 noname -0.0136 16 H1 1.8933 0.5138 -0.8900 H 1 noname 0.0266 17 H2 1.8933 0.5138 0.8900 H 1 noname 0.0266 18 H3 -0.3633 -0.5138 -0.8900 H 1 noname 0.0266 19 H4 -0.3633 -0.5138 0.8900 H 1 noname 0.0266 20 H5 1.6767 -1.9563 -0.8900 H 1 noname 0.0266 21 H6 1.6767 -1.9563 0.8900 H 1 noname 0.0266 22 H7 -0.1467 1.9563 -0.8900 H 1 noname 0.0266 23 H8 -0.1467 1.9563 0.8900 H 1 noname 0.0266 24 H9 3.9333 -0.9287 -0.8900 H 1 noname 0.0266 25 H10 3.9333 -0.9287 0.8900 H 1 noname 0.0266 26 H11 -2.4033 0.9287 -0.8900 H 1 noname 0.0267 27 H12 -2.4033 0.9287 0.8900 H 1 noname 0.0267 28 H13 3.7167 -3.3988 -0.8900 H 1 noname 0.0266 29 H14 3.7167 -3.3988 0.8900 H 1 noname 0.0266 30 H15 -2.1867 3.3988 -0.8900 H 1 noname 0.0279 31 H16 -2.1867 3.3988 0.8900 H 1 noname 0.0279 32 H17 5.9733 -2.3712 -0.8900 H 1 noname 0.0266 33 H18 5.9733 -2.3712 0.8900 H 1 noname 0.0266 34 H19 -4.4433 2.3712 -0.8900 H 1 noname 0.0430 35 H20 -4.4433 2.3712 0.8900 H 1 noname 0.0430 36 H21 5.7567 -4.8413 -0.8900 H 1 noname 0.0264 37 H22 5.7567 -4.8413 0.8900 H 1 noname 0.0264 38 H23 8.0133 -5.3552 0.0000 H 1 noname 0.0230 39 H24 8.0133 -3.8137 -0.8900 H 1 noname 0.0230 40 H25 8.0133 -3.8137 0.8900 H 1 noname 0.0230 41 H26 -6.3927 5.2910 0.0000 H 1 noname 0.0394 42 H27 -6.3927 3.7496 -0.8900 H 1 noname 0.0394 43 H28 -6.3927 3.7496 0.8900 H 1 noname 0.0394 44 H29 -4.4433 5.9802 -1.1937 H 1 noname 0.0394 45 H30 -4.4433 4.4387 -2.0837 H 1 noname 0.0394 46 H31 -2.9900 4.9526 -1.1937 H 1 noname 0.0394 @BOND 1 1 11 1 2 1 14 1 3 1 15 1 4 2 3 1 5 2 4 1 6 2 16 1 7 2 17 1 8 3 5 1 9 3 18 1 10 3 19 1 11 4 6 1 12 4 20 1 13 4 21 1 14 5 7 1 15 5 22 1 16 5 23 1 17 6 8 1 18 6 24 1 19 6 25 1 20 7 9 1 21 7 26 1 22 7 27 1 23 8 10 1 24 8 28 1 25 8 29 1 26 9 11 1 27 9 30 1 28 9 31 1 29 10 12 1 30 10 32 1 31 10 33 1 32 11 34 1 33 11 35 1 34 12 13 1 35 12 36 1 36 12 37 1 37 13 38 1 38 13 39 1 39 13 40 1 40 14 41 1 41 14 42 1 42 14 43 1 43 15 44 1 44 15 45 1 45 15 46 1 @SUBSTRUCTURE 1 noname 1