@MOLECULE DB01191 32 32 1 SMALL USER_CHARGES @ATOM 1 F1 0.5171 -2.8655 -2.1776 F 1 noname -0.1661 2 C1 1.8082 -2.5559 -2.5195 C.3 1 noname 0.4161 3 F2 2.6734 -3.2623 -1.7246 F 1 noname -0.1661 4 F3 2.0239 -2.8830 -3.8333 F 1 noname -0.1661 5 C2 2.0318 -1.1255 -2.3311 C.2 1 noname -0.0112 6 C3 2.4875 -0.6485 -1.1075 C.2 1 noname -0.0290 7 C4 1.7890 -0.2406 -3.3751 C.2 1 noname -0.0337 8 C5 2.7004 0.7133 -0.9281 C.2 1 noname -0.0472 9 C6 2.0020 1.1213 -3.1957 C.2 1 noname -0.0533 10 C7 2.4576 1.5982 -1.9722 C.2 1 noname -0.0609 11 C8 3.1790 1.2143 0.3570 C.3 1 noname 0.0156 12 C9 1.9836 1.5434 1.2534 C.3 1 noname 0.0080 13 N1 2.4629 2.0450 2.5403 N.3 1 noname -0.3141 14 C10 1.1196 2.6112 0.5795 C.3 1 noname -0.0494 15 C11 3.2885 1.0246 3.1842 C.3 1 noname -0.0074 16 C12 3.7900 1.5496 4.5309 C.3 1 noname -0.0527 17 H1 2.6779 -1.3424 -0.2888 H 1 noname 0.0631 18 H2 1.4317 -0.6146 -4.3346 H 1 noname 0.0628 19 H3 1.8116 1.8152 -4.0145 H 1 noname 0.0622 20 H4 2.6246 2.6661 -1.8315 H 1 noname 0.0625 21 H5 3.7190 0.3876 0.8187 H 1 noname 0.0332 22 H6 3.6956 2.1494 0.1407 H 1 noname 0.0332 23 H7 1.3978 0.6472 1.4581 H 1 noname 0.0465 24 H8 2.2557 2.9556 2.9249 H 1 noname 0.1224 25 H9 0.6297 3.2166 1.3421 H 1 noname 0.0246 26 H10 1.7486 3.2487 -0.0418 H 1 noname 0.0246 27 H11 0.3649 2.1291 -0.0418 H 1 noname 0.0246 28 H12 2.6242 0.1842 3.3856 H 1 noname 0.0425 29 H13 4.1571 0.8904 2.5395 H 1 noname 0.0425 30 H14 4.0322 0.7090 5.1812 H 1 noname 0.0243 31 H15 4.6816 2.1569 4.3749 H 1 noname 0.0243 32 H16 3.0136 2.1569 4.9961 H 1 noname 0.0243 @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 2 10 8 11 1 11 9 10 1 12 11 12 1 13 12 13 1 14 12 14 1 15 13 15 1 16 15 16 1 17 6 17 1 18 7 18 1 19 9 19 1 20 10 20 1 21 11 21 1 22 11 22 1 23 12 23 1 24 13 24 1 25 14 25 1 26 14 26 1 27 14 27 1 28 15 28 1 29 15 29 1 30 16 30 1 31 16 31 1 32 16 32 1 @SUBSTRUCTURE 1 noname 1