BALR71 -OEChem-04022106103D 42 45 0 0 0 0 0 0 0999 V2000 -5.0908 2.6829 0.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 -0.0902 -0.1538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -3.9413 -0.9553 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1598 2.2907 -1.9009 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4259 0.4300 0.3026 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0685 1.5574 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8566 0.3045 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 2.8353 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 1.6372 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 -0.5256 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1424 -0.3927 -0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 -0.9833 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 -0.3675 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8682 -1.7976 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2974 0.2196 0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4454 -2.2728 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5221 0.1530 -1.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8318 -2.7734 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6627 0.7645 -0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 -0.9123 1.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 0.7305 -1.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1733 0.2453 1.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 -0.8786 2.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 -0.3009 2.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9639 1.3855 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 1.6894 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4721 1.3655 2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3722 0.0243 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0831 -0.4523 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 3.6679 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 3.1024 -0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9629 1.8895 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4767 1.5886 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8786 -2.1793 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 -2.9674 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8487 0.1371 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6809 -1.3706 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 1.1451 -2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 0.6962 1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -1.3021 3.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4789 -0.2715 3.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8119 1.0015 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 18 2 0 0 0 0 4 25 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 22 2 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 36 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$