D08SMK -OEChem-10101305022D 40 42 0 0 0 0 0 0 0999 V2000 4.9889 0.6633 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9394 0.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0384 0.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -4.0039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -3.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 3.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 4.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -3.4668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6922 1.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 2.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1954 2.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 3.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -4.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -4.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8209 4.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 5.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6423 4.6580 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 4 1 0 0 0 0 1 11 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 14 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$