BE3DT5 -OEChem-04022103212D 40 44 0 0 0 0 0 0 0999 V2000 6.5026 -4.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 1.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7533 4.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 1.4956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 2.4467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 -3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -3.9285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 2.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 -4.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 3.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 3.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 4.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 4.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4405 -2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5974 -3.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7329 -5.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5456 4.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 5.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 21 2 0 0 0 0 8 23 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$