BBE53M -OEChem-04012114472D 26 26 0 0 0 0 0 0 0999 V2000 2.0000 3.8807 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 3.3807 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -1.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 -2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1999 -3.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 -2.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 -1.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7127 -3.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -4.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8455 -4.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 17 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$