DR6961 -OEChem-08132116363D 43 44 0 1 0 0 0 0 0999 V2000 3.1168 -0.4506 1.1166 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5195 -1.5274 1.6392 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5187 -1.7877 -0.5271 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3058 -1.0682 0.4809 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 0.5136 -2.0543 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 2.4268 -1.0233 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.4394 1.0117 -0.9050 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2427 3.2006 -1.6109 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 3.6023 0.0091 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 2.3953 0.3785 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0217 1.1687 1.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 -0.6208 2.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 -0.2798 0.8939 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2466 0.8358 0.3269 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.4497 0.4579 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 0.5565 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 0.7406 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 1.4186 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3141 1.3146 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2172 -0.1093 -0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0777 1.4065 1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -0.0173 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.9942 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0931 1.1104 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 -1.8845 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 2.6634 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3554 -2.2660 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -2.5882 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9624 -3.3940 -1.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1091 -3.7161 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 -4.1191 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1342 1.6808 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 0.6923 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 1.8497 2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 -0.6966 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 2.0003 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.5177 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9886 1.0725 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2303 -1.7141 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -2.2917 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 -3.7072 -2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2338 -4.2800 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 -4.9970 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 24 1 0 0 0 0 7 24 1 0 0 0 0 8 26 1 0 0 0 0 9 26 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 26 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 27 39 1 0 0 0 0 28 30 2 0 0 0 0 28 40 1 0 0 0 0 29 31 2 0 0 0 0 29 41 1 0 0 0 0 30 31 1 0 0 0 0 30 42 1 0 0 0 0 31 43 1 0 0 0 0 M END $$$$