@MOLECULE DB01046 59 60 1 SMALL USER_CHARGES @ATOM 1 F1 0.0021 -1.1461 -4.1517 F 1 noname -0.2006 2 C1 0.4184 0.0873 -3.7216 C.3 1 noname 0.3003 3 F2 -0.0885 1.0552 -4.5497 F 1 noname -0.2006 4 C2 -0.0800 0.3248 -2.2946 C.3 1 noname 0.2311 5 C3 1.9471 0.1462 -3.7443 C.3 1 noname 0.0167 6 O1 0.4451 -0.6777 -1.4369 O.3 1 noname -0.3408 7 O2 -1.4776 0.0783 -2.2486 O.3 1 noname -0.3607 8 C4 0.0155 1.8594 -1.9538 C.3 1 noname 0.0079 9 C5 2.4455 -0.0913 -5.1712 C.3 1 noname -0.0476 10 C6 0.3465 -0.2500 -0.1005 C.3 1 noname 0.0716 11 C7 0.3946 2.2025 -0.5569 C.3 1 noname -0.0419 12 C8 3.9742 -0.0325 -5.1939 C.3 1 noname -0.0559 13 C9 1.1306 1.0412 0.1145 C.3 1 noname -0.0045 14 C10 0.9691 -1.2084 0.9012 C.3 1 noname 0.0332 15 C11 4.4726 -0.2699 -6.6208 C.3 1 noname -0.0654 16 C12 1.0711 1.2077 1.6171 C.3 1 noname 0.0230 17 C13 1.1366 -0.2552 2.0979 C.2 1 noname 0.1369 18 C14 2.3151 1.9583 2.0966 C.3 1 noname -0.0431 19 O3 1.3012 -0.6142 3.2839 O.2 1 noname -0.2973 20 C15 2.2551 2.1267 3.6162 C.3 1 noname -0.0526 21 C16 3.4991 2.8772 4.0957 C.3 1 noname -0.0532 22 C17 3.4390 3.0456 5.6152 C.3 1 noname -0.0528 23 C18 4.6830 3.7962 6.0948 C.3 1 noname -0.0439 24 C19 4.6229 3.9646 7.6143 C.3 1 noname 0.0335 25 C20 5.8100 4.6808 8.0719 C.2 1 noname 0.1348 26 O4 5.9619 4.9261 9.2881 O.2 1 noname -0.2559 27 O5 6.7436 5.0783 7.1814 O.3 1 noname -0.2189 28 H1 2.2267 1.1657 -3.4789 H 1 noname 0.0330 29 H2 2.3032 -0.6906 -3.1433 H 1 noname 0.0330 30 H3 -1.7637 0.0278 -1.3335 H 1 noname 0.2138 31 H4 0.8310 2.2591 -2.5566 H 1 noname 0.0324 32 H5 -0.9913 2.2628 -2.0628 H 1 noname 0.0324 33 H6 2.1659 -1.1109 -5.4366 H 1 noname 0.0268 34 H7 2.0895 0.7454 -5.7722 H 1 noname 0.0268 35 H8 -0.7379 -0.1816 -0.0142 H 1 noname 0.0612 36 H9 1.1043 3.0263 -0.6332 H 1 noname 0.0272 37 H10 -0.5426 2.3387 -0.0174 H 1 noname 0.0272 38 H11 4.2538 0.9871 -4.9285 H 1 noname 0.0264 39 H12 4.3303 -0.8692 -4.5929 H 1 noname 0.0264 40 H13 2.1457 1.0176 -0.2817 H 1 noname 0.0336 41 H14 0.2344 -1.9723 1.1560 H 1 noname 0.0373 42 H15 1.9549 -1.4998 0.5389 H 1 noname 0.0373 43 H16 4.5384 -1.3415 -6.8091 H 1 noname 0.0230 44 H17 3.7770 0.1813 -7.3284 H 1 noname 0.0230 45 H18 5.4575 0.1813 -6.7415 H 1 noname 0.0230 46 H19 0.2010 1.7663 1.9618 H 1 noname 0.0386 47 H20 3.1707 1.3170 1.8847 H 1 noname 0.0274 48 H21 2.2642 2.9587 1.6669 H 1 noname 0.0274 49 H22 1.3995 2.7679 3.8281 H 1 noname 0.0267 50 H23 2.3060 1.1262 4.0459 H 1 noname 0.0267 51 H24 4.3546 2.2360 3.8838 H 1 noname 0.0266 52 H25 3.4481 3.8777 3.6660 H 1 noname 0.0266 53 H26 2.5834 3.6869 5.8271 H 1 noname 0.0267 54 H27 3.4899 2.0452 6.0449 H 1 noname 0.0267 55 H28 5.5386 3.1550 5.8828 H 1 noname 0.0272 56 H29 4.6320 4.7966 5.6650 H 1 noname 0.0272 57 H30 3.7761 4.6126 7.8404 H 1 noname 0.0372 58 H31 4.6826 2.9709 8.0582 H 1 noname 0.0372 59 H32 7.5142 5.4063 7.6507 H 1 noname 0.2213 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 10 6 1 10 8 11 1 11 9 12 1 12 10 13 1 13 10 14 1 14 13 11 1 15 12 15 1 16 13 16 1 17 14 17 1 18 16 18 1 19 16 17 1 20 17 19 2 21 18 20 1 22 20 21 1 23 21 22 1 24 22 23 1 25 23 24 1 26 24 25 1 27 25 26 2 28 25 27 1 29 5 28 1 30 5 29 1 31 7 30 1 32 8 31 1 33 8 32 1 34 9 33 1 35 9 34 1 36 10 35 1 37 11 36 1 38 11 37 1 39 12 38 1 40 12 39 1 41 13 40 1 42 14 41 1 43 14 42 1 44 15 43 1 45 15 44 1 46 15 45 1 47 16 46 1 48 18 47 1 49 18 48 1 50 20 49 1 51 20 50 1 52 21 51 1 53 21 52 1 54 22 53 1 55 22 54 1 56 23 55 1 57 23 56 1 58 24 57 1 59 24 58 1 60 27 59 1 @SUBSTRUCTURE 1 noname 1