@MOLECULE 78357816 45 47 1 SMALL USER_CHARGES @ATOM 1 F1 1.6976 -7.0348 1.4484 F 1 noname -0.1785 2 F2 2.5864 -5.0586 1.9493 F 1 noname -0.1785 3 F3 -3.1702 -5.6874 -0.1296 F 1 noname -0.1785 4 F4 -2.8472 -3.6412 -0.9385 F 1 noname -0.1785 5 O1 4.1392 1.2160 -1.2647 O.3 1 noname -0.3783 6 O2 1.0258 -5.2206 0.2250 O.3 1 noname -0.2210 7 O3 -1.5591 -4.4041 0.8546 O.3 1 noname -0.2210 8 N1 4.6038 1.1172 1.5276 N.2 1 noname -0.2431 9 N2 5.5419 1.6035 2.2756 N.3 1 noname 0.0362 10 N3 5.7425 2.8610 2.1290 N.2 1 noname -0.2544 11 C1 3.1771 1.8510 -0.3978 C.3 1 noname 0.1371 12 C2 2.6296 3.0785 -1.2569 C.3 1 noname -0.0079 13 C3 2.1067 0.8197 -0.0430 C.2 1 noname -0.0330 14 C4 4.1102 2.1169 0.7786 C.2 1 noname 0.0792 15 C5 1.9299 2.6349 -2.5918 C.3 1 noname -0.0593 16 C6 3.7372 4.0757 -1.6979 C.3 1 noname -0.0593 17 C7 2.3914 -0.5672 -0.1304 C.2 1 noname -0.0315 18 C8 0.7844 1.1795 0.3479 C.2 1 noname -0.0410 19 C9 1.4163 -1.5510 0.1136 C.2 1 noname -0.0335 20 C10 0.0954 -1.1475 0.4685 C.2 1 noname -0.0363 21 C11 -0.2081 0.2172 0.5811 C.2 1 noname -0.0427 22 C12 4.8169 3.2453 1.2516 C.2 1 noname 0.0728 23 C13 1.7172 -2.9237 0.0234 C.2 1 noname 0.0001 24 C14 -0.8889 -2.1152 0.7128 C.2 1 noname -0.0004 25 C15 0.7267 -3.8904 0.2859 C.2 1 noname 0.0409 26 C16 -0.5820 -3.4831 0.6205 C.2 1 noname 0.0409 27 C17 1.4421 -5.6916 1.5178 C.3 1 noname 0.3497 28 C18 -2.2219 -4.7328 -0.3768 C.3 1 noname 0.3497 29 H1 1.8854 3.6413 -0.6774 H 1 noname 0.0334 30 H2 3.3811 4.9177 -2.2868 H 1 noname 0.0234 31 H3 4.2183 4.5311 -0.8696 H 1 noname 0.0234 32 H4 1.5803 3.5164 -3.1291 H 1 noname 0.0234 33 H5 1.0820 1.9901 -2.3607 H 1 noname 0.0234 34 H6 2.6421 2.0903 -3.2117 H 1 noname 0.0234 35 H7 4.4834 3.5325 -2.2778 H 1 noname 0.0234 36 H8 3.3356 -0.8692 -0.3829 H 1 noname 0.0633 37 H9 0.5168 2.1541 0.4572 H 1 noname 0.0626 38 H10 3.6939 0.9210 -2.0863 H 1 noname 0.2119 39 H11 -1.1565 0.5114 0.8434 H 1 noname 0.0629 40 H12 4.7388 4.2206 1.0061 H 1 noname 0.0878 41 H13 2.6647 -3.2431 -0.2068 H 1 noname 0.0657 42 H14 -1.8488 -1.8350 0.9391 H 1 noname 0.0657 43 H15 6.0647 1.1009 2.9068 H 1 noname 0.1988 44 H16 0.6581 -5.4806 2.2451 H 1 noname 0.1388 45 H17 -1.4846 -5.0921 -1.0947 H 1 noname 0.1388 @BOND 1 1 27 1 2 2 27 1 3 3 28 1 4 4 28 1 5 11 5 1 6 5 38 1 7 6 25 1 8 6 27 1 9 7 26 1 10 7 28 1 11 8 9 1 12 8 14 2 13 9 10 1 14 9 43 1 15 10 22 2 16 11 12 1 17 11 13 1 18 11 14 1 19 12 15 1 20 12 16 1 21 12 29 1 22 13 17 2 23 13 18 1 24 14 22 1 25 15 32 1 26 15 33 1 27 15 34 1 28 16 30 1 29 16 31 1 30 16 35 1 31 17 19 1 32 17 36 1 33 18 21 2 34 18 37 1 35 19 20 1 36 19 23 2 37 20 21 1 38 20 24 2 39 21 39 1 40 22 40 1 41 23 25 1 42 23 41 1 43 24 26 1 44 24 42 1 45 25 26 2 46 27 44 1 47 28 45 1 @SUBSTRUCTURE 1 noname 1