LDA18C -OEChem-05022322472D 45 48 0 0 0 0 0 0 0999 V2000 2.0000 4.8170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 5.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.4510 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -3.3783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -4.9877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -2.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -4.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 16 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 38 1 0 0 0 0 7 17 2 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 23 1 0 0 0 0 8 39 1 0 0 0 0 9 19 1 0 0 0 0 9 21 2 0 0 0 0 10 19 1 0 0 0 0 10 23 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$