B3V7WM -OEChem-04022106152D 38 40 0 1 0 0 0 0 0999 V2000 4.2830 -4.3323 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7472 -4.3323 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 3.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -0.8323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 0.6677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 2.1677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 3.7123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 -1.3323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0151 -2.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -0.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -2.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -2.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3891 2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3891 0.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 0.6469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -3.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -3.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 -4.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 1.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 3.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4782 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1911 -1.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4181 -0.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 -0.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4181 -2.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -2.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 -0.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 2.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 0.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 -4.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 1.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 10 2 0 0 0 0 5 23 1 0 0 0 0 6 13 1 0 0 0 0 6 23 2 0 0 0 0 7 24 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 14 21 1 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$