B3LNP9 -OEChem-04012115183D 42 45 0 1 0 0 0 0 0999 V2000 8.3032 -0.5940 0.1266 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 -2.0824 -1.7420 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 -1.1322 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7837 -1.2846 -0.1158 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 0.3326 -0.5785 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5212 0.4026 -0.1811 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 1.0649 -0.0357 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4527 -1.3302 -0.5795 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -1.1646 0.8205 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0619 -1.6607 1.4275 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1980 -0.6946 2.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8887 -0.2879 -0.4002 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8396 0.7779 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6085 -1.1104 -1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2681 -0.1079 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 0.4253 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2109 2.1225 -0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4836 1.4169 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2349 3.1141 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 2.7614 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3889 -0.2207 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8729 -0.2717 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5755 0.7257 0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9624 0.6306 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8023 -1.3887 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5952 -0.4437 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -1.8723 0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 -2.6866 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -1.0805 3.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 0.3244 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -1.6104 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 -0.5038 -2.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -0.6265 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2439 2.4514 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6828 1.1744 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 0.0249 0.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 4.1612 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8618 3.5451 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 1.8589 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 1.5533 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5372 1.3961 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2357 -2.2506 -1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 21 2 0 0 0 0 5 12 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 22 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M END $$$$