L6QVD1 -OEChem-05022323322D 44 46 0 0 0 0 0 0 0999 V2000 3.7320 -4.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 2.9501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.1410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.8810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 7.5178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 3.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 4.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 3.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 5.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 4.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 5.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1372 6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 2.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7126 4.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 3.4666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 6.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 4.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 1.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 0.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 28 1 0 0 0 0 3 44 1 0 0 0 0 4 28 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 30 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 0 0 0 0 8 13 2 0 0 0 0 9 13 1 0 0 0 0 9 16 2 0 0 0 0 10 16 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 29 3 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$