D0A2IQ -OEChem-10101305032D 37 38 0 1 0 0 0 0 0999 V2000 7.7469 -3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 -0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 -2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5559 -2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 -3.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -2.3126 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2081 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.5768 -1.6082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5768 -1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2678 -0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1646 -2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 -1.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 -1.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 -0.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -0.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6074 -2.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 -3.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 1.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 2.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1189 2.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3458 3.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 3.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9513 -3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4911 -1.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 17 9 1 6 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 14 10 1 1 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 18 1 6 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M CHG 2 12 1 13 -1 M END $$$$