BJCH18 -OEChem-04012120172D 41 43 0 0 0 0 0 0 0999 V2000 4.6660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 6 2 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$