BS2DQ5 -OEChem-04022105122D 62 64 0 0 0 0 0 0 0999 V2000 19.0716 0.9947 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0716 -0.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6552 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6552 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6552 -0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2752 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6552 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 34 1 0 0 0 0 2 22 2 0 0 0 0 3 25 1 0 0 0 0 3 58 1 0 0 0 0 4 26 1 0 0 0 0 4 59 1 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 51 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 54 1 0 0 0 0 10 31 1 0 0 0 0 10 34 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 22 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 18 21 2 0 0 0 0 18 46 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 44 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 55 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 M END $$$$