B7EOD5 -OEChem-04012117362D 42 45 0 0 0 0 0 0 0999 V2000 5.5321 -3.1123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 -3.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -3.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.8877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.3877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -2.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 -1.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 -0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 4.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -1.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 -2.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 0.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 -1.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 -0.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 5.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 5.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 4.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 4.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -4.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 6 22 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 2 0 0 0 0 18 23 1 0 0 0 0 18 25 2 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 23 26 2 0 0 0 0 23 34 1 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 25 28 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 27 28 2 0 0 0 0 27 38 1 0 0 0 0 28 39 1 0 0 0 0 M END $$$$