BXAJ48 -OEChem-04012115332D 46 48 0 1 0 0 0 0 0999 V2000 7.7331 1.1377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 2.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 0.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8623 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 1.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 2.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 1.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 0.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 3.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 1.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6669 2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 22 3 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$