B4KY7M -OEChem-04042107013D 39 38 0 1 0 0 0 0 0999 V2000 -3.7002 1.5486 -0.4901 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 2.2856 0.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 0.9531 -1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0161 0.0550 2.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3882 -0.0331 -1.7711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 -1.6094 -0.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 0.0297 0.3700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6947 0.3494 0.4644 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -1.0204 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5977 -2.4368 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9052 0.0566 -0.2000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5766 -3.4581 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 -2.8842 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4693 1.4337 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 0.4875 -0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 0.7441 0.0080 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9077 1.1454 1.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -0.4325 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 2.7858 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7178 -1.0413 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8717 -0.7662 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7477 -2.4103 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 -0.0411 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -3.5476 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 -4.4473 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -3.1607 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 -2.7530 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4415 -2.3488 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 -3.9466 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 -0.2472 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 1.5816 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -0.1267 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 1.9999 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 1.4028 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3429 2.7478 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7982 3.6202 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 2.9208 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 0.3448 2.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.7954 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 17 1 0 0 0 0 4 38 1 0 0 0 0 5 18 1 0 0 0 0 5 39 1 0 0 0 0 6 18 2 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 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 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 M END $$$$