B1WEK5 -OEChem-04042104523D 27 27 0 1 0 0 0 0 0999 V2000 -2.9153 0.4326 -1.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3036 1.0345 0.3134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 -2.0051 0.4324 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2574 1.2964 0.8855 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7576 2.5522 0.6089 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 -1.4697 -0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7546 -1.0158 0.3874 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6624 -0.7991 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.2987 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 0.3941 -0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 -1.3905 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1784 1.0130 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 -0.7715 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 0.4302 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.3042 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5175 -2.5554 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 -0.9242 1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2354 0.8555 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 -2.3247 1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -2.1159 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 -1.6820 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 1.9490 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 -1.2299 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8038 1.1509 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 3.2006 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3779 2.7997 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3442 1.8542 -0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 14 1 0 0 0 0 2 27 1 0 0 0 0 3 7 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$