BK8JL1 -OEChem-04022113373D 73 76 0 1 0 0 0 0 0999 V2000 -1.1813 2.4679 0.1377 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3558 -2.0974 1.2768 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 2.6195 0.2526 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 3.3685 0.8478 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 -3.4384 0.7505 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.8656 2.6161 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8017 -2.6308 -1.6645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 3.9453 -3.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 4.8860 -1.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5211 1.7791 0.2206 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8636 -1.2755 1.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 0.8436 0.4911 N 0 0 1 0 0 0 0 0 0 0 0 0 -8.8811 -2.2618 -1.7972 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7507 -2.7544 -2.6215 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 0.4397 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 0.6950 1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -1.0411 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8869 0.1762 1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -1.5343 -0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 0.2149 1.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 2.5674 -1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8343 0.1282 1.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 -1.1723 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 -0.5703 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6156 0.7453 2.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4675 -1.5443 -1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 -0.0558 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0629 3.9241 -2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 -0.6603 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 0.6662 2.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6347 -0.0327 1.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8482 0.6889 -0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -0.7998 -2.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 0.3170 -1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4682 -1.3592 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0338 -0.1225 1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8594 -1.4383 -0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6408 -0.8212 0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -2.9338 -3.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4941 -2.1654 -1.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 2.1028 1.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 1.0029 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 0.1922 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 1.7637 1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2064 -1.1923 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1991 -1.6871 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4031 0.7500 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 0.3296 2.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 -2.6065 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 -1.0161 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 0.8209 2.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.7944 1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 1.8157 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 2.3922 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 -1.0530 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1579 1.2938 3.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 0.2003 1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5978 1.1565 3.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3984 -1.0262 -3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5762 0.8942 -2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8471 -1.8376 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6634 0.3525 2.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 4.8216 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7247 -0.8514 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3733 -3.8258 -3.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0123 -3.1894 -3.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 -2.1342 -3.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 2.9958 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7567 1.3093 2.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 2.3623 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5235 -1.8422 -1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3052 -2.7752 -2.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3746 -3.2117 -3.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 7 26 1 0 0 0 0 7 39 1 0 0 0 0 8 28 1 0 0 0 0 8 63 1 0 0 0 0 9 28 2 0 0 0 0 10 32 1 0 0 0 0 10 41 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 40 1 0 0 0 0 13 71 1 0 0 0 0 13 72 1 0 0 0 0 14 40 2 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 28 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 29 1 0 0 0 0 24 55 1 0 0 0 0 25 30 2 0 0 0 0 25 56 1 0 0 0 0 26 33 1 0 0 0 0 27 32 2 0 0 0 0 27 57 1 0 0 0 0 29 31 2 0 0 0 0 29 35 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 36 1 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 35 37 2 0 0 0 0 35 61 1 0 0 0 0 36 38 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 M END $$$$