BB28SU -OEChem-04042103013D 31 33 0 1 0 0 0 0 0999 V2000 0.7760 2.7384 -1.2107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 0.8240 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 0.2489 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 0.0293 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1295 2.3232 -0.0074 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4140 -1.1575 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 -1.3772 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2555 -1.9522 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4463 1.0429 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.6035 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9222 2.8361 1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 -1.7317 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 -2.1712 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 0.4567 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5757 -0.1994 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8369 -0.9289 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -1.5850 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.8821 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3532 -3.0379 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 2.1242 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6385 1.6608 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9149 3.2228 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 2.1191 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3947 3.7062 1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8173 -2.8130 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1113 -3.2568 0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6011 1.0810 0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5617 0.2561 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8221 -1.3860 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3387 -2.2107 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3394 2.2925 -1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 19 1 0 0 0 0 9 14 2 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$