B3TCW8 -OEChem-04042106063D 28 27 0 0 0 0 0 0 0999 V2000 -0.0541 1.1361 1.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0758 3.2181 -0.2429 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 1.8984 -0.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.5054 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 -1.2447 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 -1.3054 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 -0.5904 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5298 -0.6694 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 0.9232 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -1.3888 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7487 -1.4718 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0353 -0.4579 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3384 -1.2820 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 -2.2828 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1568 -2.3270 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 -1.3863 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6734 0.4273 0.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 -0.5144 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6356 0.3513 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 -0.6058 -1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7107 -0.9048 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9029 -1.4607 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7656 -2.4032 -0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8199 -1.5242 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7034 -2.4931 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 -1.0035 -0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 1.7622 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 3.6520 -0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 9 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 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 10 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$