B7QA9J -OEChem-04012117522D 43 47 0 0 0 0 0 0 0999 V2000 4.7533 4.3556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 1.6444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.0566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 1.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 2.5955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 3.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 3.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 4.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 4.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -4.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -5.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -3.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -4.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 2.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 4.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 5.5634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 29 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 30 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 M END $$$$