@MOLECULE DB07421 45 46 1 SMALL USER_CHARGES @ATOM 1 F1 0.2712 -2.0804 -1.2832 F 1 noname -0.1661 2 C1 -0.5000 -0.9881 -0.9803 C.3 1 noname 0.4174 3 F2 -0.9909 -0.4402 -2.1372 F 1 noname -0.1661 4 F3 -1.5432 -1.3735 -0.1786 F 1 noname -0.1661 5 C2 0.3124 0.0020 -0.2794 C.2 1 noname 0.0290 6 C3 0.4022 -0.0285 1.1074 C.2 1 noname -0.0043 7 C4 0.9962 0.9751 -0.9988 C.2 1 noname -0.0186 8 C5 -0.2334 -0.9330 1.7761 C.1 1 noname 0.0627 9 C6 1.1757 0.9141 1.7747 C.2 1 noname -0.0112 10 C7 1.7697 1.9177 -0.3315 C.2 1 noname -0.0132 11 N1 -0.7981 -1.7367 2.3703 N.1 1 noname -0.1832 12 C8 1.8594 1.8872 1.0552 C.2 1 noname -0.0497 13 N2 2.4288 2.8559 -1.0251 N.3 1 noname -0.1237 14 C9 3.7147 2.3803 -1.3543 C.3 1 noname 0.1396 15 O1 4.4287 2.0830 -0.1634 O.3 1 noname -0.3750 16 C10 4.4673 3.4514 -2.1462 C.3 1 noname 0.1252 17 O2 4.5848 4.6272 -1.3588 O.3 1 noname -0.3835 18 C11 5.8627 2.9354 -2.5035 C.3 1 noname 0.0858 19 C12 3.6980 3.7718 -3.4294 C.3 1 noname -0.0298 20 O3 6.5612 3.9295 -3.2385 O.3 1 noname -0.2698 21 C13 7.7923 3.4742 -3.5537 C.2 1 noname 0.0328 22 C14 8.6661 4.2772 -4.2775 C.2 1 noname -0.0023 23 C15 8.1863 2.2024 -3.1545 C.2 1 noname -0.0023 24 C16 9.9337 3.8084 -4.6020 C.2 1 noname 0.0368 25 C17 9.4539 1.7336 -3.4790 C.2 1 noname 0.0368 26 C18 10.3277 2.5366 -4.2028 C.2 1 noname 0.0214 27 N3 11.5178 2.0964 -4.5075 N.2 1 noname -0.0187 28 O4 12.4041 2.8441 -4.6207 O.2 1 noname -0.1450 29 O5 11.7092 0.8579 -4.6800 O.3 1 noname -0.1450 30 H1 0.9258 0.9991 -2.0863 H 1 noname 0.0645 31 H2 1.2460 0.8902 2.8622 H 1 noname 0.0637 32 H3 2.4659 2.6264 1.5785 H 1 noname 0.0639 33 H4 2.0304 3.7546 -1.2567 H 1 noname 0.1308 34 H5 3.5796 1.4458 -1.8990 H 1 noname 0.0809 35 H6 4.4921 1.1310 -0.0576 H 1 noname 0.2123 36 H7 4.5613 4.3928 -0.4281 H 1 noname 0.2111 37 H8 6.4238 2.8105 -1.5774 H 1 noname 0.0603 38 H9 5.7469 2.0952 -3.1882 H 1 noname 0.0603 39 H10 3.4047 2.8429 -3.9186 H 1 noname 0.0262 40 H11 2.8073 4.3503 -3.1842 H 1 noname 0.0262 41 H12 4.3340 4.3503 -4.0995 H 1 noname 0.0262 42 H13 8.3572 5.2746 -4.5905 H 1 noname 0.0650 43 H14 7.5011 1.5727 -2.5869 H 1 noname 0.0650 44 H15 10.6189 4.4381 -5.1696 H 1 noname 0.0648 45 H16 9.7628 0.7362 -3.1660 H 1 noname 0.0648 @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 6 9 1 9 7 10 2 10 8 11 3 11 9 12 2 12 10 13 1 13 10 12 1 14 13 14 1 15 14 15 1 16 14 16 1 17 16 17 1 18 16 18 1 19 16 19 1 20 18 20 1 21 20 21 1 22 21 22 2 23 21 23 1 24 22 24 1 25 23 25 2 26 24 26 2 27 25 26 1 28 26 27 1 29 27 28 2 30 27 29 1 31 7 30 1 32 9 31 1 33 12 32 1 34 13 33 1 35 14 34 1 36 15 35 1 37 17 36 1 38 18 37 1 39 18 38 1 40 19 39 1 41 19 40 1 42 19 41 1 43 22 42 1 44 23 43 1 45 24 44 1 46 25 45 1 @SUBSTRUCTURE 1 noname 1