B9SQP2 -OEChem-04042101413D 52 54 0 1 0 0 0 0 0999 V2000 -1.3676 -2.7901 0.1812 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3445 -0.7115 0.7786 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -1.2133 -1.1179 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 -1.8966 0.2215 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -1.2918 -1.8024 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 2.6786 -1.3063 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7123 2.5055 0.7281 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.7071 3.3149 0.3695 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 3.4611 0.1537 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -3.2988 1.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 -3.6937 -0.8911 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7819 0.8179 1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1362 -1.6028 0.3606 N 0 0 1 0 0 0 0 0 0 0 0 0 2.1832 0.0393 0.1861 N 0 0 1 0 0 0 0 0 0 0 0 0 1.1188 -2.0005 1.0961 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9309 -0.7325 1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 -0.8902 -0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9981 0.3725 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 -2.7291 2.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2901 0.8948 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6966 -1.7788 -0.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 0.4438 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1373 2.2128 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 -0.0911 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3369 -1.6633 -1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 0.9620 0.0955 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3727 -0.6855 -1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 1.3108 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7281 -0.9624 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 3.0798 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8203 2.3776 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 0.9318 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 2.6287 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7113 -2.6580 0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3869 -0.0976 2.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8754 -1.0172 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -0.5913 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 -1.5592 -1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 0.8421 -1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 1.0877 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 -3.7584 2.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 -2.8081 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.2036 2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 2.5801 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0759 -2.2491 -2.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 -0.4378 -2.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6080 0.9830 -0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1119 4.1055 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4961 1.6505 -0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2616 -0.0560 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6817 1.1634 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 -0.0581 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 31 1 0 0 0 0 7 31 1 0 0 0 0 8 31 1 0 0 0 0 9 33 1 0 0 0 0 12 26 1 0 0 0 0 12 52 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 25 2 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 2 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 46 1 0 0 0 0 28 33 2 0 0 0 0 28 47 1 0 0 0 0 30 33 1 0 0 0 0 30 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 M END $$$$