B6KUA2 -OEChem-04022102382D 41 44 0 0 0 0 0 0 0999 V2000 4.6660 -0.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 -1.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 -1.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -1.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -1.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.4151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 -1.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 -2.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 21 1 0 0 0 0 4 41 1 0 0 0 0 5 21 2 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$