BDKE98 -OEChem-04012115292D 49 50 0 0 0 0 0 0 0999 V2000 8.3548 5.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5358 3.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 3.1264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 1.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 4.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 2.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 4.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 5.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 6.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 4.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 4.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9765 1.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6579 2.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1061 2.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 4.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9509 5.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3224 5.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0082 6.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1896 6.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -5.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 12 2 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 16 2 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 25 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$