B4W3NC -OEChem-04022104313D 33 35 0 0 0 0 0 0 0999 V2000 -4.8755 -3.3438 0.0006 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 2.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -1.3300 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 2.8970 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3613 -0.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4036 0.5847 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 0.7757 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6451 -0.0526 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 0.9409 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 -1.3874 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 -0.1034 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9575 0.6634 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 0.4577 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3737 -1.6951 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3418 -0.6773 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2668 1.4785 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7249 -0.8760 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0347 -0.1681 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 1.1657 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 -1.1889 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7088 -1.8572 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 -2.1853 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6983 1.4548 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7309 1.7702 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 -0.9232 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9618 2.5218 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0538 -1.7226 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3621 1.9650 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 -2.2446 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8021 -1.9158 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3619 -2.3588 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3619 -2.3597 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 26 1 0 0 0 0 17 20 1 0 0 0 0 17 27 1 0 0 0 0 18 21 2 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 M END $$$$