B2MCJ3 -OEChem-04022100272D 40 42 0 0 0 0 0 0 0999 V2000 2.0000 -2.0152 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.4573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 2.9573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.9573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -4.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -3.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -1.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 2.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1913 2.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 17 2 0 0 0 0 5 19 2 0 0 0 0 6 23 1 0 0 0 0 6 26 2 0 0 0 0 7 26 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 26 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 M END $$$$