BK9RE1 -OEChem-04012113453D 59 60 0 1 0 0 0 0 0999 V2000 -3.5382 2.5995 -1.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 -2.9410 1.7656 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3730 -2.2315 -0.3348 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 -2.6592 -0.2355 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8027 -1.8174 1.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2318 1.4013 0.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 1.8481 0.7542 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -2.0655 0.3389 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3499 0.4614 -1.0763 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 3.3851 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1853 3.2355 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2553 3.5557 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 3.1051 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 3.7416 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6662 0.1142 0.1073 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6464 3.0192 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2047 2.5443 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 -0.6041 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3212 -0.6946 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4051 -1.0002 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 -0.8689 -1.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9088 -2.0109 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 -1.6614 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1681 0.6011 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -1.5300 -2.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 -1.9263 -1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -0.4314 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 -1.6883 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -1.8716 -0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6838 -0.7746 -1.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8085 -2.8353 1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2777 4.2541 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4783 2.5015 -0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 4.1068 1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 2.3537 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1969 2.6978 1.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9903 4.4397 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 2.2217 -1.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 3.9757 -1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7257 4.6201 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3589 3.9275 1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 0.3071 -0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 3.0364 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 3.9067 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 1.4517 1.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1372 -0.1169 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5944 -0.8962 2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5499 1.9119 1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 -0.7781 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 -0.5664 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 -1.7357 -3.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4231 -2.4386 -2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 -0.2722 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 -3.7930 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1143 -2.8375 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 -0.8647 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6433 -3.7918 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0809 -2.7762 2.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8173 -2.8360 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 22 1 0 0 0 0 2 54 1 0 0 0 0 3 22 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 45 1 0 0 0 0 7 16 1 0 0 0 0 7 24 1 0 0 0 0 7 48 1 0 0 0 0 8 23 1 0 0 0 0 9 24 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 21 25 2 0 0 0 0 21 50 1 0 0 0 0 23 26 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$