@MOLECULE DB04155 44 45 1 SMALL USER_CHARGES @ATOM 1 F1 -0.0754 -0.7196 -1.4420 F 1 noname -0.2387 2 C1 0.2344 -0.4208 -0.1379 C.3 1 noname 0.1791 3 C2 1.6266 0.2459 -0.1169 C.3 1 noname 0.1923 4 C3 -0.8550 0.4751 0.5310 C.3 1 noname 0.1188 5 O1 1.7438 1.3235 0.8546 O.3 1 noname -0.3410 6 O2 2.6916 -0.7074 0.0529 O.3 1 noname -0.3406 7 O3 -0.8184 0.1073 1.9066 O.3 1 noname -0.3870 8 C4 -0.6281 2.0174 0.3809 C.3 1 noname 0.1115 9 C5 0.8723 2.4467 0.6229 C.3 1 noname 0.1124 10 C6 3.9826 -0.0532 -0.1254 C.3 1 noname 0.1179 11 O4 -1.6047 2.7111 1.1583 O.3 1 noname -0.3874 12 C7 1.1737 3.3421 1.8420 C.3 1 noname 0.0722 13 C8 5.1302 -0.9868 0.3833 C.3 1 noname 0.1138 14 C9 4.2459 0.5171 -1.5792 C.3 1 noname 0.1128 15 O5 2.5491 3.6953 1.8415 O.3 1 noname -0.3934 16 O6 5.3988 -0.7058 1.7491 O.3 1 noname -0.3873 17 C10 6.4705 -1.0174 -0.4146 C.3 1 noname 0.1332 18 O7 4.9208 -0.4512 -2.3988 O.3 1 noname -0.3415 19 C11 5.0961 1.7855 -1.4832 C.3 1 noname 0.0722 20 O8 7.0988 -2.2783 -0.2365 O.3 1 noname -0.3849 21 C12 6.2669 -0.7479 -1.9399 C.3 1 noname 0.1838 22 O9 4.4091 2.7586 -0.7103 O.3 1 noname -0.3934 23 O10 7.1483 0.2831 -2.3602 O.3 1 noname -0.3656 24 H1 0.2399 -1.4012 0.3385 H 1 noname 0.0744 25 H2 1.8081 0.7142 -1.0844 H 1 noname 0.0955 26 H3 -1.8452 0.2713 0.1237 H 1 noname 0.0661 27 H4 -0.8163 -0.8497 1.9819 H 1 noname 0.2107 28 H5 -0.8816 2.3752 -0.6170 H 1 noname 0.0657 29 H6 1.1247 2.9529 -0.3089 H 1 noname 0.0657 30 H7 3.8806 0.8135 0.5277 H 1 noname 0.0661 31 H8 -1.4218 2.5812 2.0918 H 1 noname 0.2106 32 H9 0.6350 4.2813 1.7156 H 1 noname 0.0591 33 H10 1.0291 2.7481 2.7444 H 1 noname 0.0591 34 H11 4.7351 -2.0014 0.3326 H 1 noname 0.0658 35 H12 3.3181 0.7157 -2.1158 H 1 noname 0.0657 36 H13 2.8594 3.7749 2.7464 H 1 noname 0.2101 37 H14 5.4938 -1.5296 2.2326 H 1 noname 0.2106 38 H15 7.1653 -0.2883 0.0022 H 1 noname 0.0682 39 H16 5.9962 1.5466 -0.9167 H 1 noname 0.0591 40 H17 5.1786 2.2131 -2.4825 H 1 noname 0.0591 41 H18 7.1897 -2.4609 0.7016 H 1 noname 0.2108 42 H19 6.4914 -1.6582 -2.4957 H 1 noname 0.0949 43 H20 4.5384 2.5754 0.2232 H 1 noname 0.2101 44 H21 7.5210 0.7190 -1.5904 H 1 noname 0.2134 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 10 6 1 10 8 11 1 11 8 9 1 12 9 12 1 13 10 13 1 14 10 14 1 15 12 15 1 16 13 16 1 17 13 17 1 18 14 18 1 19 14 19 1 20 17 20 1 21 17 21 1 22 18 21 1 23 19 22 1 24 21 23 1 25 2 24 1 26 3 25 1 27 4 26 1 28 7 27 1 29 8 28 1 30 9 29 1 31 10 30 1 32 11 31 1 33 12 32 1 34 12 33 1 35 13 34 1 36 14 35 1 37 15 36 1 38 16 37 1 39 17 38 1 40 19 39 1 41 19 40 1 42 20 41 1 43 21 42 1 44 22 43 1 45 23 44 1 @SUBSTRUCTURE 1 noname 1