D0V5DX -OEChem-10121500052D 46 49 0 1 0 0 0 0 0999 V2000 7.6516 1.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 2.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3955 3.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3762 2.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3894 0.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -2.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3894 -1.3460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 0.4588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 -1.0412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 -3.0412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7000 1.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1137 2.0240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7976 -2.6345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7028 2.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6066 -4.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 2.5214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1284 -3.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6284 -4.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4634 3.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9730 -0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7111 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2311 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8331 2.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0906 2.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 -2.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6714 -4.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 -4.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2053 2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7136 -2.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 -3.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -4.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -4.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -2.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8110 3.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0182 3.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5930 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8046 2.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8111 4.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8785 3.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 13 2 1 6 0 0 0 2 42 1 0 0 0 0 15 3 1 6 0 0 0 3 43 1 0 0 0 0 14 4 1 6 0 0 0 4 44 1 0 0 0 0 5 20 1 0 0 0 0 5 45 1 0 0 0 0 12 6 1 1 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 11 7 1 1 0 0 0 7 22 1 0 0 0 0 7 38 1 0 0 0 0 8 23 1 0 0 0 0 8 24 2 0 0 0 0 9 21 1 0 0 0 0 9 25 2 0 0 0 0 10 22 2 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 1 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 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 22 23 1 0 0 0 0 24 41 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$