@MOLECULE 116145 65 68 1 SMALL USER_CHARGES @ATOM 1 F1 -0.4808 0.7839 5.5424 F 1 noname -0.1548 2 C1 -0.0618 0.2143 4.4503 C.2 1 noname 0.0796 3 C2 1.3094 -0.1411 4.2780 C.2 1 noname 0.0913 4 C3 -0.9506 -0.0784 3.3825 C.2 1 noname 0.0265 5 C4 1.8302 -0.7979 3.1217 C.2 1 noname 0.0796 6 C5 2.2291 0.3145 5.3354 C.2 1 noname 0.0481 7 C6 -0.4708 -0.7338 2.1774 C.2 1 noname 0.0121 8 F2 3.0877 -1.1202 3.0357 F 1 noname -0.1548 9 C7 0.9191 -1.0856 2.0675 C.2 1 noname 0.0265 10 O1 2.4259 -0.3710 6.3620 O.2 1 noname -0.2877 11 N1 2.9169 1.6235 5.1365 N.3 1 noname -0.0604 12 C8 -1.4072 -1.0280 1.1108 C.2 1 noname 0.0478 13 C9 2.2356 2.6889 4.2979 C.3 1 noname 0.0190 14 C10 3.5140 2.0545 6.4329 C.3 1 noname 0.0190 15 N2 -2.4923 -0.1825 1.0517 N.2 1 noname -0.2213 16 C11 -1.3255 -2.1096 0.1576 C.2 1 noname 0.0415 17 C12 1.7114 3.9399 5.0589 C.3 1 noname 0.0119 18 C13 2.5796 2.9837 7.2761 C.3 1 noname 0.0119 19 C14 -3.5272 -0.3113 0.1736 C.2 1 noname 0.0456 20 C15 -0.3796 -3.0292 0.0223 C.1 1 noname -0.0100 21 C16 -2.4080 -2.2251 -0.7360 C.2 1 noname 0.0371 22 N3 1.4842 3.6528 6.5009 N.3 1 noname -0.2957 23 N4 -3.4529 -1.3519 -0.7043 N.2 1 noname -0.2300 24 C17 0.4648 -3.8777 -0.1322 C.1 1 noname -0.0269 25 C18 -2.4102 -3.3051 -1.7184 C.3 1 noname 0.0467 26 C19 1.0832 4.8811 7.1850 C.3 1 noname 0.0301 27 C20 1.4065 -4.8057 -0.2883 C.2 1 noname -0.0258 28 C21 -3.6389 -4.1904 -1.5002 C.3 1 noname -0.0597 29 C22 2.2844 5.8232 7.2874 C.3 1 noname 0.0585 30 C23 0.5801 4.5416 8.5895 C.3 1 noname -0.0473 31 C24 2.6306 -4.7133 0.4457 C.2 1 noname 0.0129 32 C25 1.2231 -5.9127 -1.1831 C.2 1 noname -0.0243 33 O2 1.8950 7.0162 7.9519 O.3 1 noname -0.3946 34 N5 3.5729 -5.7044 0.2477 N.2 1 noname -0.2633 35 C26 2.2103 -6.9245 -1.3716 C.2 1 noname -0.0315 36 C27 3.4038 -6.7725 -0.6116 C.2 1 noname 0.0173 37 N6 4.3808 -7.6816 -0.7318 N.3 1 noname -0.1209 38 H1 -1.9993 0.1996 3.4877 H 1 noname 0.0660 39 H2 1.2888 -1.5793 1.1688 H 1 noname 0.0660 40 H3 3.0138 3.0545 3.6278 H 1 noname 0.0449 41 H4 1.3517 2.1983 3.8903 H 1 noname 0.0449 42 H5 3.6414 1.1346 7.0035 H 1 noname 0.0449 43 H6 4.3845 2.6499 6.1574 H 1 noname 0.0449 44 H7 2.5050 4.6867 5.0325 H 1 noname 0.0444 45 H8 0.7284 4.1745 4.6506 H 1 noname 0.0444 46 H9 2.0626 2.3380 7.9860 H 1 noname 0.0444 47 H10 3.2032 3.8014 7.6374 H 1 noname 0.0444 48 H11 -4.3692 0.3809 0.1735 H 1 noname 0.1061 49 H12 -2.5187 -2.8253 -2.6911 H 1 noname 0.0329 50 H13 -1.5278 -3.9078 -1.5033 H 1 noname 0.0329 51 H14 0.2892 5.3331 6.5906 H 1 noname 0.0488 52 H15 -3.8117 -4.3150 -0.4313 H 1 noname 0.0234 53 H16 -4.5104 -3.7214 -1.9570 H 1 noname 0.0234 54 H17 -3.4698 -5.1655 -1.9570 H 1 noname 0.0234 55 H18 3.0249 5.3569 7.9373 H 1 noname 0.0579 56 H19 2.5605 6.1292 6.2784 H 1 noname 0.0579 57 H20 0.5375 3.4590 8.7084 H 1 noname 0.0247 58 H21 1.2600 4.9621 9.3305 H 1 noname 0.0247 59 H22 -0.4157 4.9621 8.7302 H 1 noname 0.0247 60 H23 2.8414 -3.9025 1.1431 H 1 noname 0.0853 61 H24 0.2922 -5.9884 -1.7450 H 1 noname 0.0637 62 H25 1.9386 6.8824 8.9015 H 1 noname 0.2100 63 H26 2.0618 -7.7616 -2.0537 H 1 noname 0.0656 64 H27 4.1532 -8.6646 -0.7771 H 1 noname 0.1257 65 H28 5.3449 -7.3838 -0.7771 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 26 22 1 29 24 27 1 30 25 28 1 31 26 29 1 32 26 30 1 33 27 31 2 34 27 32 1 35 29 33 1 36 31 34 1 37 32 35 2 38 34 36 2 39 35 36 1 40 36 37 1 41 4 38 1 42 9 39 1 43 13 40 1 44 13 41 1 45 14 42 1 46 14 43 1 47 17 44 1 48 17 45 1 49 18 46 1 50 18 47 1 51 19 48 1 52 25 49 1 53 25 50 1 54 26 51 1 55 28 52 1 56 28 53 1 57 28 54 1 58 29 55 1 59 29 56 1 60 30 57 1 61 30 58 1 62 30 59 1 63 31 60 1 64 32 61 1 65 33 62 1 66 35 63 1 67 37 64 1 68 37 65 1 @SUBSTRUCTURE 1 noname 1