B0REW7 -OEChem-04022117333D 42 46 0 0 0 0 0 0 0999 V2000 4.6838 2.0441 -0.8745 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 -2.5776 -2.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4554 -1.8396 -0.5977 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6106 -4.0012 -1.0649 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5974 -3.8774 -0.1726 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -1.0101 2.5211 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 0.3187 0.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6355 0.6382 -1.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7595 -0.4557 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5214 -2.5983 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 1.5875 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 0.2189 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 2.2816 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 -2.0516 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2493 0.2269 -1.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5477 1.5867 -1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 -2.7536 -1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 2.2824 2.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6547 3.6501 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 -1.1179 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 -2.4653 2.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -0.6322 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 3.6420 2.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4616 4.3247 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6924 -1.9192 2.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 0.9036 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 2.2073 -2.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 1.3870 -2.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 -0.3082 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -0.2605 -2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9232 2.1020 -2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 1.7695 2.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0386 4.2038 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 -0.8342 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8790 -4.9108 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -3.1895 2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 4.1677 3.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 5.3833 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8312 -2.2079 4.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0117 0.6123 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 2.8732 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4801 1.2965 -3.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 5 10 2 0 0 0 0 6 22 2 0 0 0 0 6 25 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 7 40 1 0 0 0 0 8 26 2 0 0 0 0 8 28 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$