@MOLECULE 118796473 62 61 1 SMALL USER_CHARGES @ATOM 1 N1 8.1373 -5.7059 0.0000 N.3 1 noname 0.0000 2 C1 7.6500 -4.3275 0.0000 C.3 1 noname 0.0000 3 C2 6.1200 -4.3275 0.0000 C.3 1 noname 0.0000 4 C3 5.6100 -2.8850 0.0000 C.3 1 noname 0.0000 5 C4 4.0800 -2.8850 0.0000 C.3 1 noname 0.0000 6 C5 3.5700 -1.4425 0.0000 C.3 1 noname 0.0000 7 C6 2.0400 -1.4425 0.0000 C.3 1 noname 0.0000 8 C7 1.5300 0.0000 0.0000 C.3 1 noname 0.0000 9 C8 9.5993 -5.7059 0.0000 C.3 1 noname 0.0000 10 C9 7.6500 -6.3951 -1.1937 C.3 1 noname 0.0000 11 C10 7.6500 -6.3951 1.1937 C.3 1 noname 0.0000 12 C11 0.0000 0.0000 0.0000 C.3 1 noname 0.0000 13 C12 -0.5100 1.4425 0.0000 C.3 1 noname 0.0000 14 C13 -2.0400 1.4425 0.0000 C.3 1 noname 0.0000 15 C14 -2.5500 2.8850 0.0000 C.3 1 noname 0.0000 16 C15 -4.0800 2.8850 0.0000 C.3 1 noname 0.0000 17 C16 -4.5900 4.3275 0.0000 C.3 1 noname 0.0000 18 C17 -6.1200 4.3275 0.0000 C.3 1 noname 0.0000 19 C18 -6.6300 5.7700 0.0000 C.3 1 noname 0.0000 20 C19 -8.1600 5.7700 0.0000 C.3 1 noname 0.0000 21 H1 8.0133 -3.8137 -0.8900 H 1 noname 0.0000 22 H2 8.0133 -3.8137 0.8900 H 1 noname 0.0000 23 H3 5.7567 -4.8413 -0.8900 H 1 noname 0.0000 24 H4 5.7567 -4.8413 0.8900 H 1 noname 0.0000 25 H5 5.9733 -2.3712 -0.8900 H 1 noname 0.0000 26 H6 5.9733 -2.3712 0.8900 H 1 noname 0.0000 27 H7 3.7167 -3.3988 -0.8900 H 1 noname 0.0000 28 H8 3.7167 -3.3988 0.8900 H 1 noname 0.0000 29 H9 3.9333 -0.9287 -0.8900 H 1 noname 0.0000 30 H10 3.9333 -0.9287 0.8900 H 1 noname 0.0000 31 H11 1.6767 -1.9563 -0.8900 H 1 noname 0.0000 32 H12 1.6767 -1.9563 0.8900 H 1 noname 0.0000 33 H13 1.8933 0.5138 -0.8900 H 1 noname 0.0000 34 H14 1.8933 0.5138 0.8900 H 1 noname 0.0000 35 H15 9.9627 -6.7335 0.0000 H 1 noname 0.0000 36 H16 8.0133 -7.4227 -1.1937 H 1 noname 0.0000 37 H17 6.5600 -6.3951 -1.1937 H 1 noname 0.0000 38 H18 8.0133 -5.8812 -2.0837 H 1 noname 0.0000 39 H19 8.0133 -7.4227 1.1937 H 1 noname 0.0000 40 H20 6.5600 -6.3951 1.1937 H 1 noname 0.0000 41 H21 8.0133 -5.8812 2.0837 H 1 noname 0.0000 42 H22 9.9627 -5.1920 -0.8900 H 1 noname 0.0000 43 H23 9.9627 -5.1920 0.8900 H 1 noname 0.0000 44 H24 -0.3633 -0.5138 -0.8900 H 1 noname 0.0000 45 H25 -0.3633 -0.5138 0.8900 H 1 noname 0.0000 46 H26 -0.1467 1.9563 -0.8900 H 1 noname 0.0000 47 H27 -0.1467 1.9563 0.8900 H 1 noname 0.0000 48 H28 -2.4033 0.9287 -0.8900 H 1 noname 0.0000 49 H29 -2.4033 0.9287 0.8900 H 1 noname 0.0000 50 H30 -2.1867 3.3988 -0.8900 H 1 noname 0.0000 51 H31 -2.1867 3.3988 0.8900 H 1 noname 0.0000 52 H32 -4.4433 2.3712 -0.8900 H 1 noname 0.0000 53 H33 -4.4433 2.3712 0.8900 H 1 noname 0.0000 54 H34 -4.2267 4.8413 -0.8900 H 1 noname 0.0000 55 H35 -4.2267 4.8413 0.8900 H 1 noname 0.0000 56 H36 -6.4833 3.8137 -0.8900 H 1 noname 0.0000 57 H37 -6.4833 3.8137 0.8900 H 1 noname 0.0000 58 H38 -6.2667 6.2838 -0.8900 H 1 noname 0.0000 59 H39 -6.2667 6.2838 0.8900 H 1 noname 0.0000 60 H40 -8.5233 6.7977 0.0000 H 1 noname 0.0000 61 H41 -8.5233 5.2562 -0.8900 H 1 noname 0.0000 62 H42 -8.5233 5.2562 0.8900 H 1 noname 0.0000 @BOND 1 1 2 1 2 1 9 1 3 1 10 1 4 1 11 1 5 2 3 1 6 2 21 1 7 2 22 1 8 3 4 1 9 3 23 1 10 3 24 1 11 4 5 1 12 4 25 1 13 4 26 1 14 5 6 1 15 5 27 1 16 5 28 1 17 6 7 1 18 6 29 1 19 6 30 1 20 7 8 1 21 7 31 1 22 7 32 1 23 8 12 1 24 8 33 1 25 8 34 1 26 9 35 1 27 9 42 1 28 9 43 1 29 10 36 1 30 10 37 1 31 10 38 1 32 11 39 1 33 11 40 1 34 11 41 1 35 12 13 1 36 12 44 1 37 12 45 1 38 13 14 1 39 13 46 1 40 13 47 1 41 14 15 1 42 14 48 1 43 14 49 1 44 15 16 1 45 15 50 1 46 15 51 1 47 16 17 1 48 16 52 1 49 16 53 1 50 17 18 1 51 17 54 1 52 17 55 1 53 18 19 1 54 18 56 1 55 18 57 1 56 19 20 1 57 19 58 1 58 19 59 1 59 20 60 1 60 20 61 1 61 20 62 1 @SUBSTRUCTURE 1 noname 1