B3VQE7 -OEChem-04012114092D 41 43 0 1 0 0 0 0 0999 V2000 4.2690 0.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 34 1 0 0 0 0 3 11 2 0 0 0 0 4 24 2 0 0 0 0 5 24 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$