@MOLECULE 71587935 32 33 1 SMALL USER_CHARGES @ATOM 1 F1 1.5128 -2.3971 0.0782 F 1 noname -0.2399 2 O1 -0.9067 -1.8617 -1.3431 O.3 1 noname -0.3505 3 O2 -1.2990 -4.4479 0.6912 O.3 1 noname -0.3870 4 O3 -0.8803 -3.2244 -3.8164 O.3 1 noname -0.3934 5 O4 2.0083 -0.6492 -0.2315 O.2 1 noname -0.2486 6 N1 -0.1803 -0.0917 0.1622 N.3 1 noname 0.0567 7 N2 1.5866 1.4972 0.3854 N.2 1 noname -0.1574 8 N3 1.1488 3.7113 0.9900 N.3 1 noname -0.1300 9 C1 -0.3301 -3.8462 -0.1548 C.3 1 noname 0.1177 10 C2 -0.6857 -1.4701 0.0253 C.3 1 noname 0.1567 11 C3 0.2333 -2.6150 0.5198 C.3 1 noname 0.1688 12 C4 -1.0205 -3.2922 -1.4120 C.3 1 noname 0.1117 13 C5 -0.2951 -3.8021 -2.6588 C.3 1 noname 0.0722 14 C6 -1.0847 0.9249 0.4497 C.2 1 noname -0.0471 15 C7 1.1745 0.2235 0.0937 C.2 1 noname 0.1030 16 C8 -0.7145 2.2679 0.7398 C.2 1 noname -0.0026 17 C9 0.6840 2.4877 0.7032 C.2 1 noname -0.0324 18 C10 -1.6825 3.3174 1.0454 C.3 1 noname -0.0356 19 H1 0.4604 -4.5497 -0.4161 H 1 noname 0.0661 20 H2 -1.6537 -1.5633 0.5644 H 1 noname 0.0819 21 H3 0.2638 -2.6994 1.6061 H 1 noname 0.0732 22 H4 -2.0587 -3.6244 -1.4118 H 1 noname 0.0656 23 H5 -0.3815 -4.8874 -2.7111 H 1 noname 0.0591 24 H6 0.7574 -3.5236 -2.6062 H 1 noname 0.0591 25 H7 -1.6640 -5.2455 0.2541 H 1 noname 0.2107 26 H8 -2.0779 0.6928 0.4527 H 1 noname 0.0761 27 H9 -0.4157 -3.5510 -4.6151 H 1 noname 0.2101 28 H10 -2.3611 3.4426 0.2016 H 1 noname 0.0281 29 H11 -2.2524 3.0390 1.9318 H 1 noname 0.0281 30 H12 -1.1566 4.2539 1.2309 H 1 noname 0.0281 31 H13 2.1166 3.7128 0.9256 H 1 noname 0.1258 32 H14 0.7819 4.3522 0.3611 H 1 noname 0.1258 @BOND 1 11 1 1 2 2 10 1 3 2 12 1 4 9 3 1 5 3 25 1 6 4 13 1 7 4 27 1 8 5 15 2 9 10 6 1 10 6 14 1 11 6 15 1 12 7 15 1 13 7 17 2 14 8 17 1 15 8 31 1 16 8 32 1 17 9 11 1 18 9 12 1 19 9 19 1 20 10 11 1 21 10 20 1 22 11 21 1 23 12 13 1 24 12 22 1 25 13 23 1 26 13 24 1 27 14 16 2 28 14 26 1 29 16 17 1 30 16 18 1 31 18 28 1 32 18 29 1 33 18 30 1 @SUBSTRUCTURE 1 noname 1