BO90EF -OEChem-04022113443D 31 32 0 0 0 0 0 0 0999 V2000 -5.5311 -1.3634 0.0022 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.2934 -0.0882 0.0088 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8754 0.8403 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 1.3136 -0.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -0.7060 -0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -0.7057 -0.0049 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 -0.1039 -0.0059 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9011 1.1557 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5426 1.0448 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 -0.4660 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5834 0.4116 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9775 -1.3932 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2174 0.9001 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3014 -0.9545 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5413 1.3389 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 -0.9297 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -0.2090 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8138 0.0830 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6366 -0.0067 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8914 -0.1615 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -2.4606 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.6448 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0616 -1.7280 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7551 2.4042 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3846 -2.0253 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8563 -1.7153 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 -1.7197 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2958 2.0892 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8561 0.3565 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8576 -0.7712 -0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 -0.7703 0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 19 2 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 18 2 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 27 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 28 1 0 0 0 0 9 17 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$