B97CVW -OEChem-04022108002D 42 42 0 1 0 0 0 0 0999 V2000 3.5344 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 4.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5319 6.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 8.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 9.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 3.6783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 6.1783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 8.1783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2018 5.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 4.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 3.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 3.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 6.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6659 6.1783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4418 5.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 3.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 4.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 3.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 7.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 5.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 4.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 5.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 5.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 2.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 2.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 3.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 6.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 6.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 6.7983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 5.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 2.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0459 5.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6659 4.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2859 5.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0688 6.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 7.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 9.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 14 2 0 0 0 0 16 3 1 6 0 0 0 3 39 1 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 41 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 28 1 0 0 0 0 7 14 1 0 0 0 0 15 7 1 6 0 0 0 7 30 1 0 0 0 0 8 21 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 16 22 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$