B3TG9P -OEChem-04012115142D 44 44 0 1 0 0 0 0 0999 V2000 7.1051 2.1801 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0868 6.0915 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4529 7.4575 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4529 5.7255 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 6.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 8.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.3754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.1075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 0.5707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 2.2414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1200 2.2414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2078 2.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 3.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 1.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1588 0.8754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 6.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 7.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 2.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 2.7508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 2.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 0.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 3.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 3.7180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 1.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 0.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 1.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 3.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 3.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 0.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3087 1.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6887 1.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2218 6.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 15 2 0 0 0 0 6 24 1 0 0 0 0 6 44 1 0 0 0 0 7 24 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 12 9 1 6 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 18 1 0 0 0 0 10 21 2 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 19 1 6 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 M END $$$$