BOBR82 -OEChem-04042106333D 61 63 0 0 0 0 0 0 0999 V2000 -1.3481 0.4341 -0.9117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 1.2050 2.6870 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6826 -0.9337 2.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 -1.8452 2.4414 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2410 -0.4927 2.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 -3.0521 -0.3664 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0319 1.2669 -0.2359 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1435 2.4513 -0.1937 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 0.2710 1.9821 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3344 -0.9238 1.8731 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5295 -1.9212 -0.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -3.1855 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 -0.6210 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -1.9537 -0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7026 -0.6084 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 -4.2880 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 0.5407 -0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 -2.0094 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8717 0.7228 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 -0.8543 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5349 0.5901 0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8801 -0.3458 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 1.0356 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1307 -0.2646 -1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.0836 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2821 1.3416 -0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 0.7704 0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7312 0.7522 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 1.2163 -1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9819 0.8332 -1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 1.1388 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 1.5933 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7214 3.0699 -1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4681 2.9828 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7165 -2.0890 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -1.8757 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 -4.0465 -0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -3.3874 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -5.1261 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -4.2007 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7771 -4.5417 -1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 1.4650 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -2.9719 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 1.1426 -2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 -0.6486 -2.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 0.6594 1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9435 1.1227 1.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 1.4588 -2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3848 1.2559 -2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 1.3115 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6189 0.1301 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 1.8761 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8559 1.7008 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4575 2.5466 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6986 0.8021 -2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3635 3.9181 -1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3506 2.3620 -1.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 3.4633 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1477 3.8396 1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 3.3394 1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9747 2.2329 1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 25 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 26 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 23 44 1 0 0 0 0 24 30 2 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M CHG 4 2 -1 4 -1 9 1 10 1 M END $$$$