@MOLECULE DB06992 47 49 1 SMALL USER_CHARGES @ATOM 1 F1 2.7369 0.3092 -3.7590 F 1 noname -0.1653 2 C1 1.5020 -0.0282 -3.5267 C.2 1 noname 0.0209 3 C2 0.5763 -0.2255 -4.6009 C.2 1 noname 0.0017 4 C3 1.0284 -0.2129 -2.1931 C.2 1 noname 0.0147 5 C4 -0.7922 -0.5841 -4.3954 C.2 1 noname -0.0444 6 C5 1.0521 -0.0525 -5.9703 C.3 1 noname 0.0149 7 C6 -0.3400 -0.5930 -1.9239 C.2 1 noname -0.0254 8 C7 -1.2409 -0.7630 -3.0521 C.2 1 noname -0.0392 9 C8 -0.8221 -0.8423 -0.5803 C.2 1 noname 0.0274 10 N1 -2.1653 -1.0541 -0.3763 N.2 1 noname -0.2106 11 C9 -0.0034 -0.9535 0.5952 C.2 1 noname -0.0086 12 C10 -2.7836 -1.4422 0.7750 C.2 1 noname 0.0457 13 C11 -0.5761 -1.3314 1.8396 C.2 1 noname -0.0262 14 C12 -4.2353 -1.7274 0.7401 C.2 1 noname 0.0432 15 C13 -1.9681 -1.5940 1.9319 C.2 1 noname 0.0057 16 O1 -4.9734 -1.3024 1.6550 O.2 1 noname -0.2842 17 N2 -4.8318 -2.5290 -0.3939 N.3 1 noname -0.0582 18 C14 -5.9101 -3.4986 0.0067 C.3 1 noname 0.0113 19 C15 -4.0070 -2.9854 -1.5597 C.3 1 noname 0.0062 20 C16 -5.4700 -4.9843 0.1960 C.3 1 noname -0.0220 21 C17 -3.3748 -4.3828 -1.3412 C.3 1 noname -0.0393 22 C18 -4.4565 -5.4042 -0.9009 C.3 1 noname -0.0456 23 C19 -6.6993 -5.8927 0.1292 C.3 1 noname -0.0587 24 C20 -4.7479 -5.0767 1.5417 C.3 1 noname -0.0587 25 H1 1.7229 -0.0614 -1.3668 H 1 noname 0.0660 26 H2 -1.4724 -0.7169 -5.2367 H 1 noname 0.0626 27 H3 1.2106 -1.0298 -6.4261 H 1 noname 0.0280 28 H4 0.3099 0.5008 -6.5457 H 1 noname 0.0280 29 H5 1.9912 0.5008 -5.9614 H 1 noname 0.0280 30 H6 -2.2839 -1.0326 -2.8859 H 1 noname 0.0629 31 H7 1.0658 -0.7485 0.5422 H 1 noname 0.0645 32 H8 0.0534 -1.4200 2.7250 H 1 noname 0.0624 33 H9 -2.4053 -1.9084 2.8796 H 1 noname 0.0647 34 H10 -6.2370 -3.1541 0.9878 H 1 noname 0.0441 35 H11 -6.6063 -3.4953 -0.8319 H 1 noname 0.0441 36 H12 -4.7076 -3.0858 -2.3887 H 1 noname 0.0435 37 H13 -3.1819 -2.2763 -1.6262 H 1 noname 0.0435 38 H14 -3.0111 -4.7144 -2.3138 H 1 noname 0.0280 39 H15 -2.6823 -4.2830 -0.5054 H 1 noname 0.0280 40 H16 -3.8972 -6.2302 -0.4616 H 1 noname 0.0273 41 H17 -5.0627 -5.5692 -1.7916 H 1 noname 0.0273 42 H18 -7.0272 -6.1351 1.1401 H 1 noname 0.0236 43 H19 -7.5021 -5.3794 -0.4000 H 1 noname 0.0236 44 H20 -6.4442 -6.8109 -0.4000 H 1 noname 0.0236 45 H21 -4.6058 -6.1245 1.8065 H 1 noname 0.0236 46 H22 -3.7775 -4.5858 1.4678 H 1 noname 0.0236 47 H23 -5.3460 -4.5858 2.3094 H 1 noname 0.0236 @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 2 8 7 9 1 9 7 8 1 10 9 10 2 11 9 11 1 12 10 12 1 13 11 13 2 14 12 14 1 15 12 15 2 16 13 15 1 17 14 16 2 18 14 17 1 19 17 18 1 20 17 19 1 21 18 20 1 22 19 21 1 23 20 22 1 24 20 23 1 25 20 24 1 26 21 22 1 27 4 25 1 28 5 26 1 29 6 27 1 30 6 28 1 31 6 29 1 32 8 30 1 33 11 31 1 34 13 32 1 35 15 33 1 36 18 34 1 37 18 35 1 38 19 36 1 39 19 37 1 40 21 38 1 41 21 39 1 42 22 40 1 43 22 41 1 44 23 42 1 45 23 43 1 46 23 44 1 47 24 45 1 48 24 46 1 49 24 47 1 @SUBSTRUCTURE 1 noname 1