B3SWT2 -OEChem-04012119372D 52 55 0 0 0 0 0 0 0999 V2000 5.6701 3.5034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1701 -2.0355 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 -3.7956 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -2.0355 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 3.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 3.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 4.5034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8611 -1.0844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -5.8834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -5.8834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8041 2.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5361 2.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8041 1.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5361 1.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5361 5.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -2.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4791 -1.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4021 4.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5361 6.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -3.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2682 6.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2682 5.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4021 6.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -4.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 6.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -5.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 2.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 2.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 0.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 0.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1332 4.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0688 -0.8928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4021 3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9992 6.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 -3.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8051 4.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4021 7.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4442 5.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6711 6.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8242 7.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -1.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -2.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -6.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -5.5733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -6.5034 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 7 1 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 25 1 0 0 0 0 4 32 1 0 0 0 0 7 18 1 0 0 0 0 7 37 1 0 0 0 0 8 15 1 0 0 0 0 8 20 2 0 0 0 0 9 31 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 31 2 0 0 0 0 10 52 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 21 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 21 38 1 0 0 0 0 22 27 1 0 0 0 0 22 39 1 0 0 0 0 23 28 2 0 0 0 0 23 40 1 0 0 0 0 24 29 2 0 0 0 0 24 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$