B42TDI -OEChem-04012120372D 53 53 0 1 0 0 0 0 0999 V2000 3.7320 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 45 1 0 0 0 0 3 18 2 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 16 6 1 6 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 18 1 0 0 0 0 19 7 1 6 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 M END $$$$