B1JTN5 -OEChem-04022105542D 54 57 0 1 0 0 0 0 0999 V2000 2.0000 0.5989 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4308 -0.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0971 -1.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 1.3446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 3.4595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 -1.6382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7621 -4.0795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7224 0.8031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3887 0.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0351 1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7435 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 2.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0760 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 3.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4296 -2.5881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0473 3.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 2.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4506 -2.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -3.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3093 1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7817 -0.0692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0158 2.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4215 1.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3869 -0.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9813 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5411 2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7840 2.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2266 0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 1.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 0.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 0.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9473 2.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 2.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2186 3.4379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 3.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 4.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3492 -1.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 0.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -2.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 3.6958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 2.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3241 -2.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8437 -2.9188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -3.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 46 1 0 0 0 0 6 17 1 0 0 0 0 24 6 1 6 0 0 0 6 47 1 0 0 0 0 7 29 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 1 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END $$$$