@MOLECULE DB03523 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 7.0038 4.2790 2.1639 F 1 noname -0.1626 2 C1 7.8592 3.5065 1.5604 C.2 1 noname 0.0304 3 C2 7.4091 2.4592 0.7650 C.2 1 noname 0.0093 4 C3 9.2230 3.7284 1.7111 C.2 1 noname -0.0063 5 C4 6.0453 2.2373 0.6143 C.2 1 noname -0.0292 6 C5 8.3230 1.6339 0.1202 C.2 1 noname -0.0360 7 C6 10.1369 2.9031 1.0663 C.2 1 noname -0.0489 8 C7 5.5952 1.1901 -0.1812 C.2 1 noname -0.0331 9 C8 5.1314 3.0627 1.2591 C.2 1 noname -0.0331 10 C9 9.6869 1.8558 0.2709 C.2 1 noname -0.0616 11 C10 4.2314 0.9682 -0.3319 C.2 1 noname -0.0288 12 C11 3.7675 2.8408 1.1084 C.2 1 noname -0.0288 13 C12 3.3175 1.7935 0.3129 C.2 1 noname -0.0235 14 C13 1.9536 1.5716 0.1622 C.2 1 noname 0.0172 15 N1 1.4893 0.2971 -0.0562 N.2 1 noname -0.2195 16 C14 1.0565 2.6543 0.2343 C.2 1 noname 0.0293 17 C15 0.1587 0.0170 -0.2693 C.2 1 noname 0.0269 18 C16 -0.3351 2.4174 0.0636 C.2 1 noname 0.0117 19 C17 1.5498 4.0060 0.4818 C.3 1 noname 0.0207 20 C18 -0.8026 1.1079 -0.2324 C.2 1 noname 0.0355 21 C19 -0.2368 -1.3001 -0.6463 C.2 1 noname 0.0063 22 C20 -1.2386 3.4665 0.1861 C.2 1 noname 0.0882 23 C21 -2.1645 0.8945 -0.6014 C.2 1 noname 0.0279 24 C22 -1.5892 -1.4923 -1.0444 C.2 1 noname 0.0109 25 O1 -2.4000 3.2469 0.5928 O.2 1 noname -0.2586 26 O2 -0.8618 4.7227 -0.1343 O.3 1 noname -0.2184 27 C23 -2.5361 -0.4104 -1.0311 C.2 1 noname 0.0329 28 F2 -3.7582 -0.6290 -1.4200 F 1 noname -0.1651 29 H1 9.5759 4.5497 2.3349 H 1 noname 0.0653 30 H2 7.9701 0.8126 -0.5036 H 1 noname 0.0630 31 H3 11.2064 3.0771 1.1845 H 1 noname 0.0623 32 H4 6.3119 0.5428 -0.6869 H 1 noname 0.0629 33 H5 5.4843 3.8839 1.8828 H 1 noname 0.0629 34 H6 10.4035 1.2086 -0.2348 H 1 noname 0.0622 35 H7 3.8785 0.1469 -0.9557 H 1 noname 0.0629 36 H8 3.0509 3.4880 1.6140 H 1 noname 0.0629 37 H9 1.6128 4.1787 1.5562 H 1 noname 0.0280 38 H10 2.5384 4.1190 0.0370 H 1 noname 0.0280 39 H11 0.8663 4.7293 0.0370 H 1 noname 0.0280 40 H12 0.4693 -2.1303 -0.6309 H 1 noname 0.0646 41 H13 -2.8963 1.7011 -0.5566 H 1 noname 0.0660 42 H14 -1.9052 -2.4850 -1.3650 H 1 noname 0.0654 43 H15 -0.7108 5.2261 0.6691 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 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 10 1 11 8 11 1 12 9 12 2 13 11 13 2 14 12 13 1 15 13 14 1 16 14 15 2 17 14 16 1 18 15 17 1 19 16 18 2 20 16 19 1 21 17 20 1 22 17 21 2 23 18 22 1 24 18 20 1 25 20 23 2 26 21 24 1 27 22 25 2 28 22 26 1 29 23 27 1 30 24 27 2 31 27 28 1 32 4 29 1 33 6 30 1 34 7 31 1 35 8 32 1 36 9 33 1 37 10 34 1 38 11 35 1 39 12 36 1 40 19 37 1 41 19 38 1 42 19 39 1 43 21 40 1 44 23 41 1 45 24 42 1 46 26 43 1 @SUBSTRUCTURE 1 noname 1