B4THC3 -OEChem-04012119512D 52 53 0 1 0 0 0 0 0999 V2000 6.8671 6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 42 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 17 6 1 1 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 26 1 0 0 0 0 7 27 2 0 0 0 0 8 27 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 27 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 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 14 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$