B3TS4I -OEChem-04022103332D 36 38 0 0 0 0 0 0 0999 V2000 3.0934 1.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7983 1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 3.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 -0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -0.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 0.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 2.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 0.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 3.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 1.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8694 3.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8216 2.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 15 31 1 0 0 0 0 16 20 2 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$