D0G6WW -OEChem-04152111332D 56 57 0 1 0 0 0 0 0999 V2000 4.4487 1.3628 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4157 -2.2425 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.4122 -3.9828 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 -0.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 2.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9175 -1.3755 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.9211 0.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4229 1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4122 -3.9807 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9128 1.3628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 0.3566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.8573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.0652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.3628 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9211 0.3586 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9211 1.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4193 -0.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9175 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9211 0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9175 -1.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4157 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4157 -2.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9140 -3.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9140 -3.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 -0.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 0.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 -0.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 2.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 -0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5144 -1.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3609 -1.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1104 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2286 -0.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7957 -2.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0357 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6029 -3.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2322 0.8867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -0.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 0.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 32 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 5 20 1 0 0 0 0 5 28 1 0 0 0 0 6 21 2 0 0 0 0 7 26 1 0 0 0 0 7 48 1 0 0 0 0 8 26 2 0 0 0 0 9 27 1 0 0 0 0 10 31 1 0 0 0 0 10 53 1 0 0 0 0 11 31 2 0 0 0 0 12 37 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 20 1 0 0 0 0 14 27 2 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 32 2 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 29 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 47 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 33 35 1 0 0 0 0 33 49 1 0 0 0 0 34 36 2 0 0 0 0 34 50 1 0 0 0 0 35 37 2 0 0 0 0 35 51 1 0 0 0 0 36 37 1 0 0 0 0 36 52 1 0 0 0 0 38 54 1 0 0 0 0 38 55 1 0 0 0 0 38 56 1 0 0 0 0 M CHG 4 2 1 3 1 9 -1 12 -1 M END $$$$