BU4RA8 -OEChem-04042102313D 33 35 0 0 0 0 0 0 0999 V2000 -3.4546 1.5505 2.2662 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9094 -3.8319 -0.0803 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 -2.0414 0.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8352 2.5291 -0.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4627 1.2402 -0.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0448 1.9149 -0.1504 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 0.2295 0.1326 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9566 -0.3680 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0068 0.9717 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7647 -1.2170 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 -0.8703 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 1.3797 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 1.7445 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -1.6934 -1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -1.5495 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 1.7312 0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 1.5881 -1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 -2.5022 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0235 -2.3584 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5136 1.5622 0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3348 1.4191 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -2.8349 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 1.4063 -0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3609 2.8772 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1668 0.1962 0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 -1.4428 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 -1.1855 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 1.8536 1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.5965 -2.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -2.8653 -2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 -2.6081 2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 1.2974 -2.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8523 1.2539 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 23 1 0 0 0 0 5 33 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 2 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$