BX3VE6 -OEChem-04022105372D 43 45 0 0 0 0 0 0 0999 V2000 7.7331 2.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6818 -0.3331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 1.2760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1818 0.5329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 -0.5422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4898 -2.2648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7036 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6654 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4843 -2.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0721 -1.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 2.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -1.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -0.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4869 -1.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1318 -1.8652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2429 -0.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0298 -0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7365 -2.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6887 -1.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 2 28 1 0 0 0 0 3 13 1 0 0 0 0 3 16 2 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 7 16 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 22 1 0 0 0 0 8 23 2 0 0 0 0 9 22 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$