B1GQ3B -OEChem-04042104363D 44 46 0 0 0 0 0 0 0999 V2000 -4.3482 0.9270 0.5533 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 -1.0213 -0.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 -0.1033 -1.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 0.8761 0.8469 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2235 -2.2906 1.5153 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4272 2.9658 0.1584 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1796 1.6653 -0.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9414 1.8302 0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.6899 -0.2700 0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 2.1325 0.2751 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -0.5934 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -0.2389 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0914 0.6901 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 0.8695 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7657 -1.6976 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3876 -1.5184 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4015 -0.7437 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8797 -0.5393 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0894 -0.8204 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 -0.9303 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 -0.0473 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -1.4796 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -1.6258 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3176 -0.2300 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0948 0.9302 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0223 -0.2307 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7606 0.9350 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7074 -1.5391 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0468 2.0980 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 1.8585 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1576 -2.7055 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 -2.3952 -0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -1.4202 0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 -0.4302 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6322 -0.5141 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3001 -1.8930 -0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4971 -0.3664 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -1.9759 1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 0.3143 -2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8298 0.9475 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1896 -1.5623 -1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9936 -2.3684 -0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4638 -1.7025 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5410 3.0637 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 13 1 0 0 0 0 9 25 1 0 0 0 0 9 26 2 0 0 0 0 10 25 2 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 24 39 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$