B5R8IH -OEChem-04012117222D 33 33 0 1 0 0 0 0 0999 V2000 7.0064 -0.1801 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6756 -0.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 -1.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3373 0.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -1.1280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1380 1.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6028 -0.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1801 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5352 -1.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2359 1.8273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.8492 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7496 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 -0.8492 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4438 0.8492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3122 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3948 0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0406 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 0.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4096 -0.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1892 -0.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 -1.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8541 1.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 -0.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 0.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0104 -2.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6966 2.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6462 2.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 0.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7276 1.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 27 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 6 33 1 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 15 10 1 6 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 M CHG 2 8 -1 11 1 M END $$$$