BS9A7I -OEChem-04012118522D 49 51 0 1 0 0 0 0 0999 V2000 5.7579 2.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -1.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -1.2852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 0.2148 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4013 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 4.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -3.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 1.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 3.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 3.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 2.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 1.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2947 1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 0.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2225 -0.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 4.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 4.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 3.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 2.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 4.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 4.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 0.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 1.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 -4.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4011 -4.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8461 -2.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -2.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -4.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 M END $$$$