L9FVB6 -OEChem-05022322392D 41 44 0 0 0 0 0 0 0999 V2000 5.5321 -2.0752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 3.2118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 -2.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 -1.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 2.3492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 2.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 3.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 2.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 3.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -1.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 4.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 4.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8845 3.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -3.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -2.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -3.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 2 11 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 12 2 0 0 0 0 10 17 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$