@MOLECULE 71587407 29 30 1 SMALL USER_CHARGES @ATOM 1 F1 1.7369 -0.3268 -3.6571 F 1 noname -0.1510 2 O1 -1.8260 -2.6833 -0.0550 O.3 1 noname -0.3537 3 O2 -0.3616 -3.9640 2.6259 O.3 1 noname -0.3900 4 O3 -3.9821 -1.3487 1.1884 O.3 1 noname -0.3934 5 O4 -0.9071 -4.9081 -2.4942 O.2 1 noname -0.2481 6 N1 -0.1045 -2.8956 -1.7630 N.3 1 noname 0.0700 7 N2 0.2253 -3.6301 -4.0019 N.2 1 noname -0.1407 8 N3 1.4013 -2.3337 -5.5499 N.3 1 noname -0.1141 9 C1 -0.5754 -2.7207 1.9740 C.3 1 noname 0.0864 10 C2 0.3307 -2.6216 0.7686 C.3 1 noname 0.0167 11 C3 -0.5241 -3.2044 -0.3840 C.3 1 noname 0.1257 12 C4 -1.9915 -2.6938 1.3724 C.3 1 noname 0.1087 13 C5 -2.7082 -1.4156 1.8121 C.3 1 noname 0.0721 14 C6 0.5423 -1.7046 -2.1033 C.2 1 noname 0.0078 15 C7 -0.2858 -3.8530 -2.7460 C.2 1 noname 0.1077 16 C8 1.1041 -1.4285 -3.3768 C.2 1 noname 0.0433 17 C9 0.9059 -2.4750 -4.3128 C.2 1 noname 0.0091 18 H1 -0.3922 -1.9041 2.6724 H 1 noname 0.0629 19 H2 0.5501 -1.5737 0.5642 H 1 noname 0.0335 20 H3 1.2786 -3.1428 0.9030 H 1 noname 0.0335 21 H4 -0.5560 -4.3081 -0.2478 H 1 noname 0.0788 22 H5 -2.5325 -3.5741 1.7196 H 1 noname 0.0655 23 H6 -2.8338 -1.4235 2.8948 H 1 noname 0.0591 24 H7 -2.1154 -0.5483 1.5214 H 1 noname 0.0591 25 H8 -0.9492 -4.0282 3.4076 H 1 noname 0.2105 26 H9 0.6158 -0.9831 -1.3860 H 1 noname 0.0790 27 H10 -4.4412 -0.5300 1.4700 H 1 noname 0.2101 28 H11 1.1902 -3.1217 -6.0746 H 1 noname 0.1258 29 H12 1.0083 -1.5518 -5.9682 H 1 noname 0.1258 @BOND 1 1 16 1 2 2 11 1 3 2 12 1 4 9 3 1 5 3 25 1 6 4 13 1 7 4 27 1 8 5 15 2 9 11 6 1 10 6 14 1 11 6 15 1 12 7 15 1 13 7 17 2 14 8 17 1 15 8 28 1 16 8 29 1 17 9 10 1 18 9 12 1 19 9 18 1 20 10 11 1 21 10 19 1 22 10 20 1 23 11 21 1 24 12 13 1 25 12 22 1 26 13 23 1 27 13 24 1 28 14 16 2 29 14 26 1 30 16 17 1 @SUBSTRUCTURE 1 noname 1