B1XKE7 -OEChem-04022107082D 38 40 0 0 0 0 0 0 0999 V2000 3.7634 0.7878 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -0.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -6.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -4.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -4.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -0.9723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 -0.0212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 6.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 5.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 1.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6008 2.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 3.4887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 -5.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 -6.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 23 2 0 0 0 0 4 15 1 0 0 0 0 4 23 1 0 0 0 0 4 35 1 0 0 0 0 5 15 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 19 2 0 0 0 0 8 25 3 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 13 15 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 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 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 M END $$$$