BNRD32 -OEChem-04012112093D 36 39 0 0 0 0 0 0 0999 V2000 -0.1040 3.6860 -0.7215 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6752 -3.2083 -0.0312 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 -1.8225 -0.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 0.8575 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 -0.9628 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 1.2652 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 0.4044 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 -1.4208 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3858 -0.4784 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0374 -1.9018 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2879 2.6932 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 -0.9062 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4018 -1.7698 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3135 3.4402 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 -0.0739 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9195 -3.0869 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -0.5150 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 4.8386 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8294 -3.9256 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 5.1119 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 0.2728 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4165 -0.6177 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8826 -1.8801 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 0.7890 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3895 -2.4800 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -1.9810 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9715 -0.8514 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 3.0174 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 1.0018 0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9572 -3.3874 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 5.6053 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 -4.9993 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 6.0806 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 1.3503 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -0.3704 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3104 -2.8702 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 12 26 1 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$