B3D7GA -OEChem-04022104482D 44 48 0 0 0 0 0 0 0999 V2000 5.9030 3.5615 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8378 1.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 2.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 1.9678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5882 3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7199 -1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7199 -2.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8538 -1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6138 -0.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8526 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8538 -3.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6138 -3.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 -1.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 0.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9878 -2.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 -1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 0.4881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9829 0.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 -2.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8526 -4.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5760 -4.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 -4.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9755 1.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 2.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 3.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 4.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 4.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 3.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 -1.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1028 0.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4509 -2.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6924 1.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0556 -1.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7752 -0.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0556 -2.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 -4.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1028 -4.3637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6924 -5.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5712 1.6538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 5.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 5.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7126 4.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 27 1 0 0 0 0 2 23 2 0 0 0 0 3 28 2 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 40 1 0 0 0 0 5 28 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 20 2 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 32 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$