B0HXN2 -OEChem-04012118502D 41 44 0 0 0 0 0 0 0999 V2000 6.5566 -0.0619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7806 -0.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7806 1.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -2.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 -1.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 0.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 0.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 1.6405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 1.4326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8867 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 -0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6867 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6867 1.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 1.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 0.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 -0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1079 0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -2.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 -1.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 -0.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 -0.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8958 -0.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2976 0.5233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2976 1.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8958 2.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8211 0.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0241 0.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 2.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6177 1.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3557 2.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -2.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 21 2 0 0 0 0 6 23 2 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 38 1 0 0 0 0 9 17 2 0 0 0 0 10 18 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 24 2 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$