@MOLECULE 91617497 42 43 1 SMALL USER_CHARGES @ATOM 1 F1 -1.3808 4.3335 -4.6779 F 1 noname -0.1636 2 O1 -3.9249 -3.6984 5.3512 O.3 1 noname -0.3899 3 O2 -5.4252 0.4265 -1.8948 O.2 1 noname -0.2978 4 N1 -4.8288 -3.1334 1.3421 N.3 1 noname -0.3030 5 C1 -4.8918 -3.6887 4.3114 C.3 1 noname 0.0645 6 C2 -4.6020 -4.8627 3.3189 C.3 1 noname -0.0115 7 C3 -5.0557 -2.2356 3.7671 C.3 1 noname -0.0115 8 C4 -4.2275 -4.3972 1.8780 C.3 1 noname 0.0009 9 C5 -5.5523 -2.2218 2.2994 C.3 1 noname 0.0009 10 C6 -3.7900 -2.4604 0.5130 C.3 1 noname -0.0014 11 C7 -6.2203 -4.0731 4.9657 C.3 1 noname -0.0360 12 C8 -4.3926 -1.5323 -0.5600 C.3 1 noname -0.0331 13 C9 -3.4318 -0.3799 -0.7556 C.3 1 noname 0.0120 14 C10 -4.1877 0.5215 -1.7458 C.2 1 noname 0.0921 15 C11 -3.4066 1.4910 -2.5044 C.2 1 noname -0.0220 16 C12 -2.1464 1.1384 -3.1116 C.2 1 noname -0.0020 17 C13 -3.9947 2.7854 -2.6554 C.2 1 noname -0.0020 18 C14 -1.4412 2.1232 -3.8538 C.2 1 noname 0.0043 19 C15 -3.2988 3.7740 -3.4138 C.2 1 noname 0.0043 20 C16 -2.0242 3.4301 -3.9978 C.2 1 noname 0.0407 21 H1 -5.4684 -5.5226 3.2739 H 1 noname 0.0309 22 H2 -3.8070 -5.4922 3.7186 H 1 noname 0.0309 23 H3 -5.7607 -1.6900 4.3943 H 1 noname 0.0309 24 H4 -4.0650 -1.7810 3.7716 H 1 noname 0.0309 25 H5 -6.6195 -2.4425 2.2749 H 1 noname 0.0431 26 H6 -5.4616 -1.1969 1.9396 H 1 noname 0.0431 27 H7 -4.4063 -5.2111 1.1753 H 1 noname 0.0431 28 H8 -3.1561 -4.1978 1.8997 H 1 noname 0.0431 29 H9 -3.1647 -3.2130 0.0328 H 1 noname 0.0430 30 H10 -3.1311 -1.8690 1.1488 H 1 noname 0.0430 31 H11 -7.0073 -4.0828 4.2116 H 1 noname 0.0259 32 H12 -6.4677 -3.3466 5.7397 H 1 noname 0.0259 33 H13 -6.1324 -5.0636 5.4119 H 1 noname 0.0259 34 H14 -5.3524 -1.1502 -0.2124 H 1 noname 0.0284 35 H15 -4.5887 -2.0616 -1.4925 H 1 noname 0.0284 36 H16 -3.0303 -3.5877 4.9666 H 1 noname 0.2108 37 H17 -3.3006 0.1480 0.1890 H 1 noname 0.0350 38 H18 -2.4427 -0.6555 -1.1211 H 1 noname 0.0350 39 H19 -1.7678 0.1968 -3.0097 H 1 noname 0.0631 40 H20 -4.8961 2.9986 -2.2284 H 1 noname 0.0631 41 H21 -0.5383 1.9075 -4.2766 H 1 noname 0.0653 42 H22 -3.6944 4.7056 -3.5407 H 1 noname 0.0653 @BOND 1 1 20 1 2 2 5 1 3 2 36 1 4 3 14 2 5 4 8 1 6 4 9 1 7 4 10 1 8 5 6 1 9 5 7 1 10 5 11 1 11 6 8 1 12 6 21 1 13 6 22 1 14 7 9 1 15 7 23 1 16 7 24 1 17 8 27 1 18 8 28 1 19 9 25 1 20 9 26 1 21 10 12 1 22 10 29 1 23 10 30 1 24 11 31 1 25 11 32 1 26 11 33 1 27 12 13 1 28 12 34 1 29 12 35 1 30 13 14 1 31 13 37 1 32 13 38 1 33 14 15 1 34 15 16 2 35 15 17 1 36 16 18 1 37 16 39 1 38 17 19 2 39 17 40 1 40 18 20 2 41 18 41 1 42 19 20 1 43 19 42 1 @SUBSTRUCTURE 1 noname 1