B3XE2N -OEChem-04012118322D 39 41 0 0 0 0 0 0 0999 V2000 2.2788 -0.8177 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -1.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 4.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -1.4055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -4.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -5.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1364 5.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6063 0.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -2.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3143 4.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 -5.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -6.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -5.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 5.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5008 5.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 5.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 9 2 0 0 0 0 3 11 2 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 20 2 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$