B9FUP5 -OEChem-04012112532D 37 39 0 0 0 0 0 0 0999 V2000 2.8090 0.8991 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 1.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 0.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1367 -1.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 0.0901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -1.4488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 2.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -2.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6225 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -3.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 4.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 -1.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2722 -0.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 2.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -2.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -2.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9869 2.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4236 3.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -4.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -4.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 3.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0825 4.8458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -5.0688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 5.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$