B6LN1M -OEChem-04022106152D 40 42 0 0 0 0 0 0 0999 V2000 6.8100 -3.5684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 2.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 2.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 4.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 3.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 3.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 4.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -3.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1366 -5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8655 -5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$