BNL3U1 -OEChem-04012112503D 31 33 0 1 0 0 0 0 0999 V2000 -4.2591 -1.5400 -0.4329 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 0.1154 0.2627 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 -1.3033 -0.2317 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 -2.6983 0.1127 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4455 0.0472 -0.4439 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2263 1.0670 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7121 0.9866 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2931 -0.2600 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9503 0.0656 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3818 -1.4423 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 2.1181 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6761 -0.3666 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 0.9180 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -0.7699 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 2.0097 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4772 0.7714 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 0.9349 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -0.7530 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 0.0995 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 0.3080 -1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 0.8628 1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 2.0769 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 3.0879 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 1.5751 -1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 -1.4331 1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 2.8907 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 0.6909 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7359 1.5988 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 -1.4013 1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 -2.8538 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 -3.5210 0.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$