BKRC52 -OEChem-04022103173D 38 41 0 0 0 0 0 0 0999 V2000 -0.5299 3.6308 -0.6289 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.3455 -1.1717 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 -1.1694 -1.6739 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 1.4146 -0.0723 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 0.5942 0.0774 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 2.0635 -0.2657 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 3.1551 -0.4979 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 1.1422 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 2.6316 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 0.2310 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 1.0324 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 2.7444 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 -0.3157 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 -0.9716 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 0.5968 1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 -1.3729 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4329 -0.5540 1.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 -1.8084 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7229 -0.2399 1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 -1.4425 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 -2.6686 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 -1.8497 1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 -2.9070 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -2.5912 -1.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 2.8931 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 2.8885 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6038 1.5148 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 0.2580 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 -2.7573 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5535 0.0421 1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6283 -2.0940 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 -3.5025 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4969 -2.0356 2.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8235 -3.9159 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 -2.0090 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7804 -2.7271 -2.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5269 -2.5865 -2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7176 -3.4316 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 16 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$