@MOLECULE 86278191 46 45 1 SMALL USER_CHARGES @ATOM 1 N1 -6.6073 5.7059 0.0000 N.3 1 noname -0.3304 2 C1 0.0000 0.0000 0.0000 C.3 1 noname -0.0533 3 C2 1.5300 0.0000 0.0000 C.3 1 noname -0.0533 4 C3 -0.5100 1.4425 0.0000 C.3 1 noname -0.0533 5 C4 2.0400 -1.4425 0.0000 C.3 1 noname -0.0533 6 C5 -2.0400 1.4425 0.0000 C.3 1 noname -0.0533 7 C6 3.5700 -1.4425 0.0000 C.3 1 noname -0.0533 8 C7 -2.5500 2.8850 0.0000 C.3 1 noname -0.0532 9 C8 4.0800 -2.8850 0.0000 C.3 1 noname -0.0533 10 C9 -4.0800 2.8850 0.0000 C.3 1 noname -0.0521 11 C10 5.6100 -2.8850 0.0000 C.3 1 noname -0.0535 12 C11 -4.5900 4.3275 0.0000 C.3 1 noname -0.0409 13 C12 6.1200 -4.3275 0.0000 C.3 1 noname -0.0561 14 C13 -6.1200 4.3275 0.0000 C.3 1 noname -0.0076 15 C14 7.6500 -4.3275 0.0000 C.3 1 noname -0.0654 16 H1 -0.3633 -0.5138 0.8900 H 1 noname 0.0266 17 H2 -0.3633 -0.5138 -0.8900 H 1 noname 0.0266 18 H3 1.8933 0.5138 -0.8900 H 1 noname 0.0266 19 H4 1.8933 0.5138 0.8900 H 1 noname 0.0266 20 H5 -0.1467 1.9563 -0.8900 H 1 noname 0.0266 21 H6 -0.1467 1.9563 0.8900 H 1 noname 0.0266 22 H7 1.6767 -1.9563 -0.8900 H 1 noname 0.0266 23 H8 1.6767 -1.9563 0.8900 H 1 noname 0.0266 24 H9 -2.4033 0.9287 -0.8900 H 1 noname 0.0266 25 H10 -2.4033 0.9287 0.8900 H 1 noname 0.0266 26 H11 3.9333 -0.9287 -0.8900 H 1 noname 0.0266 27 H12 3.9333 -0.9287 0.8900 H 1 noname 0.0266 28 H13 -2.1867 3.3988 -0.8900 H 1 noname 0.0266 29 H14 -2.1867 3.3988 0.8900 H 1 noname 0.0266 30 H15 3.7167 -3.3988 -0.8900 H 1 noname 0.0266 31 H16 3.7167 -3.3988 0.8900 H 1 noname 0.0266 32 H17 -4.4433 2.3712 -0.8900 H 1 noname 0.0267 33 H18 -4.4433 2.3712 0.8900 H 1 noname 0.0267 34 H19 5.9733 -2.3712 -0.8900 H 1 noname 0.0266 35 H20 5.9733 -2.3712 0.8900 H 1 noname 0.0266 36 H21 -4.2267 4.8413 -0.8900 H 1 noname 0.0279 37 H22 -4.2267 4.8413 0.8900 H 1 noname 0.0279 38 H23 5.7567 -4.8413 -0.8900 H 1 noname 0.0264 39 H24 5.7567 -4.8413 0.8900 H 1 noname 0.0264 40 H25 -6.4833 3.8137 -0.8900 H 1 noname 0.0425 41 H26 -6.4833 3.8137 0.8900 H 1 noname 0.0425 42 H27 8.0133 -5.3552 0.0000 H 1 noname 0.0230 43 H28 8.0133 -3.8137 -0.8900 H 1 noname 0.0230 44 H29 8.0133 -3.8137 0.8900 H 1 noname 0.0230 45 H30 -7.6293 5.7059 0.0000 H 1 noname 0.1184 46 H31 -6.2667 6.1877 -0.8345 H 1 noname 0.1184 @BOND 1 1 14 1 2 1 45 1 3 1 46 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 13 1 33 11 34 1 34 11 35 1 35 12 14 1 36 12 36 1 37 12 37 1 38 13 15 1 39 13 38 1 40 13 39 1 41 14 40 1 42 14 41 1 43 15 42 1 44 15 43 1 45 15 44 1 @SUBSTRUCTURE 1 noname 1