BER3V1 -OEChem-04022103213D 35 37 0 0 0 0 0 0 0999 V2000 -0.4114 -3.6214 -0.4562 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5304 2.8038 0.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 3.4596 0.8156 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 1.8037 -2.1368 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6617 2.6500 -0.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5257 -2.6381 -0.6183 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 -0.7642 0.4498 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2399 -1.3737 -0.1478 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 -0.5347 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 -1.4181 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9205 -1.2668 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -2.5565 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4963 0.7989 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4659 -1.0330 -0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8281 1.1983 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7961 0.2947 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2049 2.5738 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 -0.8657 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 0.1915 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3079 0.6949 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1635 -1.4194 1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 0.1412 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 -0.9158 1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9043 1.7970 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -3.4718 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 1.4989 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2198 -1.7362 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8365 0.5811 -0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9589 -4.3651 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5214 0.6172 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7262 -2.2440 1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 0.5201 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -1.3475 2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7745 3.7334 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 2.5507 -2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 34 1 0 0 0 0 3 17 2 0 0 0 0 4 24 1 0 0 0 0 4 35 1 0 0 0 0 5 24 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M END $$$$