BE5WU6 -OEChem-04042105493D 37 39 0 0 0 0 0 0 0999 V2000 -2.7060 3.1978 -0.5300 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -0.3911 -0.4127 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -1.3284 0.5886 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0224 -3.3164 -0.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 1.2104 0.4625 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -2.0057 -0.5715 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 1.8620 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 2.1070 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 0.5533 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5954 1.6818 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 0.3154 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 2.9329 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8378 0.9965 0.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9945 3.2432 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6915 1.3864 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2088 2.6951 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8975 -1.4909 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 -1.0489 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -1.9853 1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0915 -1.8540 -1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 -2.8431 1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -2.7118 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7327 -3.2064 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 -0.2714 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 3.9655 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 0.6303 1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6912 1.6837 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 4.0773 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7648 1.2226 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 3.5286 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -1.7240 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2908 -1.4775 -2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -3.2300 2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 -2.9960 -1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 -3.8764 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6919 -1.8311 -1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -3.6102 -1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 3 18 2 0 0 0 0 4 6 1 0 0 0 0 4 37 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$