D0T7DV -OEChem-10101305022D 44 42 0 1 0 0 0 0 0999 V2000 13.1090 0.7500 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 12.2429 0.2500 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 13.1090 1.7500 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 4.4487 -2.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.0468 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1808 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.9524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6448 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0468 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1649 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6415 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8444 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -1.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 17 1 0 0 0 0 5 19 2 0 0 0 0 6 22 1 0 0 0 0 7 22 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 41 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 23 1 0 0 0 0 10 24 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 5 1 2 2 -1 3 -1 4 1 6 -1 M END $$$$