B1KEW7 -OEChem-04012120052D 54 57 0 1 0 0 0 0 0999 V2000 9.1301 0.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -1.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 0.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -1.0317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8981 1.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3981 0.3343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5321 -0.1657 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8981 2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 3.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -3.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6181 -0.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 1.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2376 -0.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 2.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 2.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -0.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -0.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9762 2.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3747 2.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 -1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 -1.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -1.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3841 3.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 4.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 3.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6671 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -4.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -3.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 45 1 0 0 0 0 2 13 2 0 0 0 0 3 15 1 0 0 0 0 3 46 1 0 0 0 0 4 15 2 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 6 0 0 0 8 31 1 0 0 0 0 9 13 1 6 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 29 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$