B6JF9I -OEChem-04022106152D 44 46 0 0 0 0 0 0 0999 V2000 6.0010 -2.3032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1968 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6466 3.2901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3103 3.9287 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -3.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 2.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 2.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 4.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2058 2.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8376 4.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.3032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 4.8992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3048 3.8242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 4.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6692 4.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5570 3.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 9 2 0 0 0 0 4 10 2 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 11 18 1 0 0 0 0 11 31 1 0 0 0 0 12 29 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 29 2 0 0 0 0 14 28 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 30 2 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$