@MOLECULE DB01207 43 44 1 SMALL USER_CHARGES @ATOM 1 F1 -2.0643 2.3737 -0.7780 F 1 noname -0.1661 2 C1 -1.2041 2.8392 -1.7388 C.3 1 noname 0.4161 3 F2 -1.7689 3.9136 -2.3761 F 1 noname -0.1661 4 F3 -0.9563 1.8456 -2.6504 F 1 noname -0.1661 5 C2 0.0479 3.2482 -1.1132 C.2 1 noname -0.0001 6 C3 1.2672 2.6197 -1.4934 C.2 1 noname 0.0037 7 C4 0.0529 4.2951 -0.1426 C.2 1 noname -0.0145 8 C5 2.4972 3.0414 -0.8929 C.2 1 noname -0.0179 9 C6 1.2495 4.7580 0.4575 C.2 1 noname -0.0422 10 C7 3.7380 2.4288 -1.2160 C.2 1 noname 0.0362 11 C8 2.4540 4.1112 0.0680 C.2 1 noname -0.0278 12 N1 4.7181 3.1859 -1.6372 N.2 1 noname -0.1973 13 C9 3.9281 0.9990 -1.1993 C.2 1 noname 0.0065 14 O1 4.8015 4.4489 -1.9410 O.3 1 noname -0.1968 15 C10 5.1791 0.4301 -1.6218 C.2 1 noname 0.0251 16 C11 2.9050 0.0217 -0.8837 C.2 1 noname -0.0127 17 C12 5.4306 5.2726 -0.9594 C.3 1 noname 0.0772 18 N2 5.3254 -0.9290 -1.7370 N.2 1 noname -0.2456 19 C13 3.0402 -1.3891 -1.0095 C.2 1 noname -0.0176 20 C14 5.4568 6.7214 -1.4504 C.3 1 noname -0.0264 21 C15 4.3175 -1.8263 -1.4615 C.2 1 noname 0.0063 22 C16 6.1311 7.6043 -0.3984 C.3 1 noname -0.0417 23 C17 6.1574 9.0531 -0.8893 C.3 1 noname 0.0335 24 C18 6.8008 9.8956 0.1146 C.2 1 noname 0.1348 25 O2 6.9273 11.1227 -0.0873 O.2 1 noname -0.2559 26 O3 7.2592 9.3493 1.2609 O.3 1 noname -0.2189 27 H1 1.2591 1.8231 -2.2373 H 1 noname 0.0635 28 H2 -0.8898 4.7572 0.1505 H 1 noname 0.0628 29 H3 1.2437 5.5715 1.1830 H 1 noname 0.0622 30 H4 3.3836 4.4497 0.5255 H 1 noname 0.0629 31 H5 6.0438 1.0487 -1.8623 H 1 noname 0.0846 32 H6 1.9436 0.3815 -0.5173 H 1 noname 0.0630 33 H7 4.7855 5.2267 -0.0821 H 1 noname 0.0594 34 H8 6.4602 4.9199 -0.8979 H 1 noname 0.0594 35 H9 2.2297 -2.0802 -0.7780 H 1 noname 0.0638 36 H10 6.0943 6.7426 -2.3343 H 1 noname 0.0291 37 H11 4.4196 7.0494 -1.5184 H 1 noname 0.0291 38 H12 4.5314 -2.8858 -1.6018 H 1 noname 0.0839 39 H13 5.4937 7.5831 0.4856 H 1 noname 0.0273 40 H14 7.1684 7.2763 -0.3303 H 1 noname 0.0273 41 H15 6.7999 9.0911 -1.7689 H 1 noname 0.0372 42 H16 5.1253 9.3979 -0.9530 H 1 noname 0.0372 43 H17 7.2319 8.3922 1.1925 H 1 noname 0.2213 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 2 13 10 13 1 14 12 14 1 15 13 15 2 16 13 16 1 17 14 17 1 18 15 18 1 19 16 19 2 20 17 20 1 21 18 21 2 22 19 21 1 23 20 22 1 24 22 23 1 25 23 24 1 26 24 25 2 27 24 26 1 28 6 27 1 29 7 28 1 30 9 29 1 31 11 30 1 32 15 31 1 33 16 32 1 34 17 33 1 35 17 34 1 36 19 35 1 37 20 36 1 38 20 37 1 39 21 38 1 40 22 39 1 41 22 40 1 42 23 41 1 43 23 42 1 44 26 43 1 @SUBSTRUCTURE 1 noname 1