B9THJ1 -OEChem-04022106362D 46 48 0 0 0 0 0 0 0999 V2000 4.5411 4.2852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -4.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 5.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 4.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5411 4.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -4.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -5.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4901 -5.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -4.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 3.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -6.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -5.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -6.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 5.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 6.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2077 -3.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 3.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 -6.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1435 -4.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -7.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0957 -5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 -7.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6192 5.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 5.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0271 6.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 7.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 6.7852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 26 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 20 2 0 0 0 0 11 21 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$