@MOLECULE DB04576 44 46 1 SMALL USER_CHARGES @ATOM 1 F1 2.2078 -0.2108 -1.4216 F 1 noname -0.1583 2 C1 1.5203 0.2794 -0.4231 C.2 1 noname 0.0360 3 C2 2.2716 1.0363 0.5207 C.2 1 noname 0.0825 4 C3 0.1013 0.0236 -0.2520 C.2 1 noname 0.0415 5 N1 3.6133 1.3278 0.2955 N.3 1 noname -0.0969 6 C4 1.6268 1.4436 1.7238 C.2 1 noname 0.0257 7 N2 -0.7583 -0.6185 -1.1745 N.3 1 noname 0.0573 8 C5 -0.4847 0.4692 1.0043 C.2 1 noname -0.0173 9 C6 4.0269 2.0488 -0.9061 C.3 1 noname 0.0161 10 C7 4.6027 0.8933 1.2545 C.3 1 noname 0.0161 11 F2 2.2387 2.1212 2.6459 F 1 noname -0.1614 12 C8 0.2795 1.1521 1.9722 C.2 1 noname 0.0287 13 C9 -2.0868 -0.8191 -0.8808 C.2 1 noname 0.0006 14 C10 -0.5982 -1.1835 -2.5117 C.3 1 noname 0.0015 15 C11 -1.8704 0.2253 1.2889 C.2 1 noname 0.0980 16 C12 5.1994 3.0513 -0.6548 C.3 1 noname 0.0112 17 C13 5.2972 2.1753 1.8019 C.3 1 noname 0.0112 18 C14 -2.6860 -0.4206 0.3277 C.2 1 noname 0.1017 19 C15 0.6448 -1.2450 -3.4236 C.3 1 noname 0.0935 20 O1 -2.3904 0.5779 2.3860 O.2 1 noname -0.2888 21 N3 5.3690 3.3099 0.8110 N.3 1 noname -0.3037 22 C16 -4.1386 -0.6999 0.5132 C.2 1 noname 0.1174 23 F3 0.3197 -1.8740 -4.5976 F 1 noname -0.2505 24 C17 6.5960 4.0734 1.0324 C.3 1 noname -0.0132 25 O2 -4.7097 -0.3620 1.5725 O.2 1 noname -0.2535 26 O3 -4.8373 -1.3175 -0.4630 O.3 1 noname -0.2151 27 H1 4.4021 1.2753 -1.5762 H 1 noname 0.0448 28 H2 3.1541 2.6378 -1.1882 H 1 noname 0.0448 29 H3 4.0491 0.4252 2.0684 H 1 noname 0.0448 30 H4 5.3360 0.3160 0.6913 H 1 noname 0.0448 31 H5 -0.1730 1.4559 2.9161 H 1 noname 0.0661 32 H6 -2.6916 -1.3159 -1.6394 H 1 noname 0.0635 33 H7 -0.8265 -2.2310 -2.3149 H 1 noname 0.0343 34 H8 -1.3012 -0.5689 -3.0740 H 1 noname 0.0343 35 H9 6.1184 2.5618 -0.9774 H 1 noname 0.0443 36 H10 4.9081 4.0062 -1.0923 H 1 noname 0.0443 37 H11 4.6677 2.5440 2.6117 H 1 noname 0.0443 38 H12 6.3342 1.9030 1.9985 H 1 noname 0.0443 39 H13 0.9138 -0.2307 -3.7186 H 1 noname 0.0627 40 H14 1.3884 -1.8929 -2.9594 H 1 noname 0.0627 41 H15 6.7688 4.1809 2.1032 H 1 noname 0.0394 42 H16 7.4372 3.5486 0.5795 H 1 noname 0.0394 43 H17 6.4968 5.0599 0.5795 H 1 noname 0.0394 44 H18 -4.7619 -2.2688 -0.3576 H 1 noname 0.2216 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 2 12 7 13 1 13 7 14 1 14 8 15 1 15 8 12 1 16 9 16 1 17 10 17 1 18 13 18 2 19 14 19 1 20 15 20 2 21 15 18 1 22 16 21 1 23 17 21 1 24 18 22 1 25 19 23 1 26 21 24 1 27 22 25 2 28 22 26 1 29 9 27 1 30 9 28 1 31 10 29 1 32 10 30 1 33 12 31 1 34 13 32 1 35 14 33 1 36 14 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 19 39 1 42 19 40 1 43 24 41 1 44 24 42 1 45 24 43 1 46 26 44 1 @SUBSTRUCTURE 1 noname 1