L8IG9N -OEChem-05032301012D 37 40 0 0 0 0 0 0 0999 V2000 3.3734 -0.2432 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -3.6357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 -1.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5013 2.4304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 -3.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 3.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 4.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6824 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -1.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9914 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -2.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -3.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5782 -2.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5782 -2.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 2.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 4.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5372 4.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 4.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 3.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 2.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -0.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 -2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 -1.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1824 -4.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 -3.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6982 -3.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7682 -4.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 10 2 0 0 0 0 4 23 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 29 1 0 0 0 0 6 23 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 18 22 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$