D05IRT -OEChem-04152109442D 50 52 0 1 0 0 0 0 0999 V2000 5.7512 2.3286 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9466 9.1729 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8528 3.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3608 3.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 6.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 6.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 1.3106 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0929 2.8494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2839 2.2617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9019 2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 3.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0051 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 4.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 4.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 5.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 5.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0929 5.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8528 5.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 4.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7589 5.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 3.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6191 2.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 4.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 2.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3550 3.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 2.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8502 3.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 1.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4683 2.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2119 2.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5281 0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 1.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6239 3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 2.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6407 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 0.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 5.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 4.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2946 5.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 7.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4933 4.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8932 4.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8869 2.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9466 9.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 50 1 0 0 0 0 3 14 1 0 0 0 0 3 42 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 17 1 0 0 0 0 5 43 1 0 0 0 0 6 20 1 0 0 0 0 6 45 1 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 1 0 0 0 10 14 1 1 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$