B1CS3T -OEChem-04012115022D 55 58 0 0 0 0 0 0 0999 V2000 12.9292 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 0.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 30 1 0 0 0 0 5 33 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 45 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 32 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 25 29 2 0 0 0 0 25 51 1 0 0 0 0 26 31 2 0 0 0 0 26 52 1 0 0 0 0 27 31 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 31 32 1 0 0 0 0 M END $$$$