BER3V1 -OEChem-04012115502D 35 37 0 0 0 0 0 0 0999 V2000 8.5309 -2.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 3.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 2.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -3.4893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -0.9293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 -0.7231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -1.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -2.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 0.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 1.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8363 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5221 2.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -4.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 -3.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 0.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9397 -0.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3610 2.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4187 4.0786 0.0000 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 $$$$