B9DI5C -OEChem-04012118442D 42 44 0 0 0 0 0 0 0999 V2000 2.8641 0.9383 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -1.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 -1.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 1.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 0.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -1.0992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 -1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 -1.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 1.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 1.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 1.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 1.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6565 -0.9321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 -1.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 1.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9921 -0.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -1.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2613 0.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -1.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4783 1.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 2.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2383 1.9008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 2.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 -2.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 -2.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 -2.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 39 1 0 0 0 0 4 23 2 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 2 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 13 28 1 0 0 0 0 14 21 2 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 19 22 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$