BV5KH3 -OEChem-04012117202D 54 57 0 0 0 0 0 0 0999 V2000 8.9962 2.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.2500 0.0000 N 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 5.5321 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.2500 0.0000 N 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 3.8000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1722 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6162 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 2 0 0 0 0 3 18 2 0 0 0 0 4 26 1 0 0 0 0 4 33 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 13 2 0 0 0 0 8 18 1 0 0 0 0 8 23 1 0 0 0 0 8 41 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 45 1 0 0 0 0 10 28 1 0 0 0 0 10 30 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 22 25 2 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 28 29 2 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 34 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 M END $$$$