BQR52K -OEChem-04022113013D 29 31 0 0 0 0 0 0 0999 V2000 -1.2872 2.2886 -0.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -1.0823 0.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0759 1.5522 -0.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 -2.8869 0.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 -1.2385 0.0969 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 -0.6564 0.0864 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 0.1093 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4409 0.8269 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 1.0314 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 0.3897 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0722 2.1539 -0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1749 0.7254 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 0.8382 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.4846 -1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 -1.6899 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4593 -0.4621 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9836 0.4121 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 -0.9104 -0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -0.9165 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 3.0808 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 -1.8964 0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 1.5162 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6307 -0.8431 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 0.7662 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 -1.5924 -1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9679 -1.8271 0.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 -1.1240 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -0.1474 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7846 -1.0450 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 29 1 0 0 0 0 3 12 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 20 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 18 2 0 0 0 0 14 23 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$