B2SAE5 -OEChem-04012118042D 44 47 0 0 0 0 0 0 0999 V2000 3.6750 3.4239 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6639 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -5.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -1.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 4.4239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.0761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -2.6639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4841 5.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 5.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 5.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -3.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -3.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 -4.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2058 -5.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 -5.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7941 4.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0505 5.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2996 5.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 4.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 6.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1102 6.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2398 6.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 6.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 2.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 2.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 0.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 0.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -4.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2612 -3.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 -5.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 -6.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 6 20 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 40 1 0 0 0 0 9 21 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$