B9IM1D -OEChem-04022105232D 41 41 0 1 0 0 0 0 0999 V2000 5.1350 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.1340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.1340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7690 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8711 -0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 3.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 13 2 1 6 0 0 0 2 31 1 0 0 0 0 16 3 1 6 0 0 0 3 34 1 0 0 0 0 4 15 1 0 0 0 0 4 35 1 0 0 0 0 17 5 1 1 0 0 0 5 36 1 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 7 19 1 0 0 0 0 7 39 1 0 0 0 0 8 18 2 0 0 0 0 9 20 2 0 0 0 0 11 10 1 1 0 0 0 10 20 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 1 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$