D05JET -OEChem-10101305032D 40 41 0 1 0 0 0 0 0999 V2000 2.5369 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2690 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 2.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 2.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 -0.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 0.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8890 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4590 2.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 2.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 16 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 10 15 2 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 12 29 1 0 0 0 0 13 19 2 0 0 0 0 13 30 1 0 0 0 0 14 17 2 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 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$