BJ3I4R -OEChem-04022107002D 41 43 0 0 0 0 0 0 0999 V2000 5.4645 0.3216 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3666 -0.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 1.3509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 0.6307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 1.5817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.3907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8529 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1587 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6939 2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0608 0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 1.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0118 -0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5471 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7550 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 1.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 1.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3004 2.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 2.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 2.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -0.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4671 2.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1407 -0.8517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0078 1.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3446 0.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 18 2 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 18 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 21 1 0 0 0 0 16 32 1 0 0 0 0 17 22 2 0 0 0 0 17 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$