BM54QI -OEChem-04012114292D 41 43 0 0 0 0 0 0 0999 V2000 6.8100 -0.3036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -4.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -0.3036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -2.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 -1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -3.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 -2.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -1.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 -4.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8655 -1.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4012 -2.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 -2.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 -3.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 -5.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -5.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 -5.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 3 40 1 0 0 0 0 4 24 1 0 0 0 0 4 41 1 0 0 0 0 5 24 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 16 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 9 18 1 0 0 0 0 10 17 2 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$