BK4QE3 -OEChem-04012115413D 51 54 0 1 0 0 0 0 0999 V2000 -4.1261 -0.2160 0.5429 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7286 1.5575 -1.5033 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 2.0421 0.8301 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1892 0.9860 0.4215 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6612 -0.1544 0.1002 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4122 -2.3795 1.7185 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4655 -0.0100 0.9857 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6557 1.4916 0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4521 -0.8089 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 1.0136 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 2.1755 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0605 1.8455 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6651 -1.2022 0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1518 -1.1544 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6062 2.1306 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 1.2519 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 1.2285 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5782 -1.9410 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0648 -1.8932 -1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 1.8220 -1.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1829 0.9433 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2779 -2.2866 -1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1199 0.9074 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9658 -0.7023 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3321 -1.7904 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 -0.1367 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6224 -2.3130 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1803 -0.6594 -0.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5465 -1.7475 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5032 -0.3334 2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1879 1.7873 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2141 1.8862 1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4399 2.6558 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 2.9045 -0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 0.0916 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9106 -0.9370 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2189 -0.8517 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 2.5899 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4366 1.0333 2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5231 -2.2467 0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 -2.1602 -2.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 2.0477 -2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 0.5194 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9890 -2.8612 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -0.6468 0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6925 0.7083 -1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9215 -3.1607 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9015 -0.2191 -1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5513 -2.1541 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 -3.1665 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -2.0212 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 23 2 0 0 0 0 3 8 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 35 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 45 1 0 0 0 0 6 25 1 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 14 19 2 0 0 0 0 14 37 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 21 2 0 0 0 0 16 39 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$