@MOLECULE DB01718 62 61 1 SMALL USER_CHARGES @ATOM 1 N1 8.1373 -5.7059 0.0000 N.4 1 noname 0.0063 2 C1 7.6500 -4.3275 0.0000 C.3 1 noname -0.0107 3 C2 9.5993 -5.7059 0.0000 C.3 1 noname -0.0215 4 C3 7.6500 -6.3951 -1.1937 C.3 1 noname -0.0215 5 C4 7.6500 -6.3951 1.1937 C.3 1 noname -0.0215 6 C5 6.1200 -4.3275 0.0000 C.3 1 noname -0.0045 7 C6 5.6100 -2.8850 0.0000 C.3 1 noname -0.0472 8 C7 4.0800 -2.8850 0.0000 C.3 1 noname -0.0530 9 C8 3.5700 -1.4425 0.0000 C.3 1 noname -0.0533 10 C9 2.0400 -1.4425 0.0000 C.3 1 noname -0.0533 11 C10 1.5300 0.0000 0.0000 C.3 1 noname -0.0533 12 C11 0.0000 0.0000 0.0000 C.3 1 noname -0.0533 13 C12 -0.5100 1.4425 0.0000 C.3 1 noname -0.0533 14 C13 -2.0400 1.4425 0.0000 C.3 1 noname -0.0533 15 C14 -2.5500 2.8850 0.0000 C.3 1 noname -0.0533 16 C15 -4.0800 2.8850 0.0000 C.3 1 noname -0.0533 17 C16 -4.5900 4.3275 0.0000 C.3 1 noname -0.0533 18 C17 -6.1200 4.3275 0.0000 C.3 1 noname -0.0535 19 C18 -6.6300 5.7700 0.0000 C.3 1 noname -0.0561 20 C19 -8.1600 5.7700 0.0000 C.3 1 noname -0.0654 21 H1 7.9788 -3.8928 0.9440 H 1 noname 0.0940 22 H2 7.9788 -3.8928 -0.9440 H 1 noname 0.0940 23 H3 9.9627 -5.7059 1.0277 H 1 noname 0.0902 24 H4 9.9627 -6.5959 -0.5138 H 1 noname 0.0902 25 H5 9.9627 -4.8159 -0.5138 H 1 noname 0.0902 26 H6 7.7120 -7.4727 -1.0419 H 1 noname 0.0902 27 H7 6.6134 -6.1132 -1.3783 H 1 noname 0.0902 28 H8 8.2613 -6.1132 -2.0510 H 1 noname 0.0902 29 H9 7.7120 -7.4727 1.0419 H 1 noname 0.0902 30 H10 8.2613 -6.1132 2.0510 H 1 noname 0.0902 31 H11 6.6134 -6.1132 1.3783 H 1 noname 0.0902 32 H12 5.8053 -4.7725 -0.9440 H 1 noname 0.0332 33 H13 5.8053 -4.7725 0.9440 H 1 noname 0.0332 34 H14 5.9247 -2.4400 0.9440 H 1 noname 0.0269 35 H15 5.9247 -2.4400 -0.9440 H 1 noname 0.0269 36 H16 3.7653 -3.3300 -0.9440 H 1 noname 0.0266 37 H17 3.7653 -3.3300 0.9440 H 1 noname 0.0266 38 H18 3.8847 -0.9975 0.9440 H 1 noname 0.0266 39 H19 3.8847 -0.9975 -0.9440 H 1 noname 0.0266 40 H20 1.7253 -1.8875 -0.9440 H 1 noname 0.0266 41 H21 1.7253 -1.8875 0.9440 H 1 noname 0.0266 42 H22 1.8447 0.4450 0.9440 H 1 noname 0.0266 43 H23 1.8447 0.4450 -0.9440 H 1 noname 0.0266 44 H24 -0.3147 -0.4450 -0.9440 H 1 noname 0.0266 45 H25 -0.3147 -0.4450 0.9440 H 1 noname 0.0266 46 H26 -0.1953 1.8875 0.9440 H 1 noname 0.0266 47 H27 -0.1953 1.8875 -0.9440 H 1 noname 0.0266 48 H28 -2.3547 0.9975 -0.9440 H 1 noname 0.0266 49 H29 -2.3547 0.9975 0.9440 H 1 noname 0.0266 50 H30 -2.2353 3.3300 0.9440 H 1 noname 0.0266 51 H31 -2.2353 3.3300 -0.9440 H 1 noname 0.0266 52 H32 -4.3947 2.4400 -0.9440 H 1 noname 0.0266 53 H33 -4.3947 2.4400 0.9440 H 1 noname 0.0266 54 H34 -4.2753 4.7725 0.9440 H 1 noname 0.0266 55 H35 -4.2753 4.7725 -0.9440 H 1 noname 0.0266 56 H36 -6.4347 3.8825 -0.9440 H 1 noname 0.0266 57 H37 -6.4347 3.8825 0.9440 H 1 noname 0.0266 58 H38 -6.3153 6.2150 0.9440 H 1 noname 0.0264 59 H39 -6.3153 6.2150 -0.9440 H 1 noname 0.0264 60 H40 -8.5233 5.7700 1.0277 H 1 noname 0.0230 61 H41 -8.5233 6.6600 -0.5138 H 1 noname 0.0230 62 H42 -8.5233 4.8800 -0.5138 H 1 noname 0.0230 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 5 2 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 1 19 19 20 1 20 2 21 1 21 2 22 1 22 3 23 1 23 3 24 1 24 3 25 1 25 4 26 1 26 4 27 1 27 4 28 1 28 5 29 1 29 5 30 1 30 5 31 1 31 6 32 1 32 6 33 1 33 7 34 1 34 7 35 1 35 8 36 1 36 8 37 1 37 9 38 1 38 9 39 1 39 10 40 1 40 10 41 1 41 11 42 1 42 11 43 1 43 12 44 1 44 12 45 1 45 13 46 1 46 13 47 1 47 14 48 1 48 14 49 1 49 15 50 1 50 15 51 1 51 16 52 1 52 16 53 1 53 17 54 1 54 17 55 1 55 18 56 1 56 18 57 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