B3CG1Q -OEChem-04022109432D 42 45 0 1 0 0 0 0 0999 V2000 2.6288 -2.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2111 -2.7680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 -0.2364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -0.2364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 0.7146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -3.7190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7111 -4.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -3.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 -2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 -1.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 -1.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -4.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7513 0.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 1.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 2.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 2.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8083 3.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 2.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 4.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 3.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 4.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 2.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 3.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4637 -3.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2963 -4.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -4.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 -4.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -3.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 -2.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -2.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 -1.3921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4608 -0.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 0.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 2.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 1.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9423 4.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 4.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 4.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 2.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 4.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 5 15 1 0 0 0 0 6 13 3 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 24 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$