DR1821 -OEChem-05042003223D 39 42 0 1 0 0 0 0 0999 V2000 2.3653 -0.1184 1.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 2.6908 -0.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7141 0.5812 -1.3972 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3613 -2.7122 0.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3372 0.8072 0.4352 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 -1.6144 -0.0317 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 -0.6838 -0.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1716 0.6603 -0.0732 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 -2.3869 -0.4269 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 2.8940 0.4282 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7652 1.0426 0.6332 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5333 1.3146 -0.6511 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9251 0.8677 -0.2601 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6517 -0.3453 0.6239 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2423 -0.4053 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -1.6813 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6478 1.7890 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -0.1522 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 1.1870 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -1.1369 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2551 1.5661 0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6485 -2.5392 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8837 -1.6245 -0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 1.8725 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1482 0.7448 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 1.6582 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 -0.4043 1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5701 -1.8930 -0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -1.7064 -0.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3809 2.8132 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 2.8101 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5774 0.2655 -1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -3.5504 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2857 -3.5507 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 -1.1303 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9189 -2.4173 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7344 -2.0816 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 3.5540 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4254 3.2684 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 31 1 0 0 0 0 3 13 1 0 0 0 0 3 32 1 0 0 0 0 4 16 1 0 0 0 0 4 33 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 8 21 2 0 0 0 0 9 20 2 0 0 0 0 9 22 1 0 0 0 0 10 21 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 18 2 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$