BE04IQ -OEChem-04042103063D 27 28 0 0 0 0 0 0 0999 V2000 -2.1509 -1.5363 -0.7091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 0.6719 -0.3249 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 0.2299 0.1569 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 -0.0832 0.2147 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 -1.0901 0.2936 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 -0.6201 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6252 0.5782 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1199 0.6316 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -0.6022 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0047 1.8188 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 1.8203 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -1.6039 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 -0.4047 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 1.2557 0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7713 -1.0659 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -1.5476 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5739 2.7409 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 2.7733 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9059 1.6058 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7991 -2.6745 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 0.8446 0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2166 1.9006 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 1.6639 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 1.2202 1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 -1.2028 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4593 -2.0276 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6318 -0.6949 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$