B4TA7C -OEChem-04022104283D 29 31 0 1 0 0 0 0 0999 V2000 -2.5803 3.0766 -0.2459 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 -2.3347 0.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -0.7510 -2.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3359 1.3933 1.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 0.1519 1.3494 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5872 0.4061 -0.4978 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 -0.5988 0.3589 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6333 -2.0862 0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 -0.0835 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 -0.3426 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 -2.8319 -0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8749 -0.9739 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5355 0.7269 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0497 1.2908 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 -0.4980 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 0.8243 -1.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3548 1.7622 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 0.8684 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 -2.1996 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 -2.5358 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0797 0.2497 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2734 -2.7894 -1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4263 -3.8897 0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2355 2.0112 0.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -1.1902 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -0.0494 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4534 1.3017 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 1.5272 -2.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4372 1.2355 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 10 2 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$