LALJ45 -OEChem-05022323082D 44 48 0 0 0 0 0 0 0999 V2000 8.1424 0.0005 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 -2.0312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5506 -1.2880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9747 -3.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 -4.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -4.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 -2.8972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 -2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 -3.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 -3.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -4.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -5.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6977 -4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8203 -3.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -1.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 2.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 0.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 33 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 14 2 0 0 0 0 5 17 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 7 16 1 0 0 0 0 7 17 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$