BLA1Y0 -OEChem-04042105383D 53 56 0 1 0 0 0 0 0999 V2000 4.6230 -0.5467 -0.9015 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 -1.0530 -1.4614 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5793 2.2930 0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 -1.3507 -1.9937 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8728 0.1770 -1.0947 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 -4.3719 0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7579 -2.2481 0.2659 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 3.4132 0.8033 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0349 -2.0821 1.3866 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7756 -1.5377 0.4825 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 0.3202 -1.0027 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3054 1.0931 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2101 2.0568 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3186 -0.7004 -0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0573 -0.0258 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5846 1.6561 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 1.2699 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3688 -1.4442 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 3.1960 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 -1.1355 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 2.4785 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0608 0.3443 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 0.6061 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8087 2.7087 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0258 -1.4632 -2.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 4.2629 1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 -0.6707 2.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 1.7895 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8296 -3.2166 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 -2.2781 0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 -3.5406 1.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 0.4794 -2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.5845 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 3.6283 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7497 -2.3678 -2.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -0.6008 -2.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -1.4400 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 3.8735 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1237 5.0932 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2649 4.6680 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2884 0.3960 2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2842 -1.1967 2.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -0.8567 1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8265 2.0200 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 -3.8461 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7679 -3.8384 1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 -2.6756 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 -1.2750 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 -2.5537 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0541 -1.6460 1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -4.0936 2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7539 -3.3052 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0372 -5.1692 1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 6 31 1 0 0 0 0 6 53 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 29 1 0 0 0 0 8 19 1 0 0 0 0 8 21 2 0 0 0 0 9 20 2 0 0 0 0 10 30 1 0 0 0 0 10 48 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 28 1 0 0 0 0 24 28 2 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$