D02TKI -OEChem-10101305022D 47 49 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 28 1 0 0 0 0 9 7 1 1 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 10 14 1 1 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 22 25 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$