B1TXR4 -OEChem-04022114413D 44 44 0 1 0 0 0 0 0999 V2000 1.4695 -0.4115 2.9837 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4901 -0.8142 0.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7186 0.4615 -0.5651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9134 1.5231 1.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 0.0011 1.8089 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2628 2.1219 0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 3.6277 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3094 -0.7902 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 4.1552 -1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5117 -1.6962 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -0.6000 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -1.3157 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 -2.4122 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 5.6435 -1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3755 -2.2217 -1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8818 -1.9161 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5955 -1.1129 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 -1.6993 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 -1.9179 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1778 -0.6264 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 2.0059 2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9752 1.8012 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 -0.2079 1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 1.9179 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 1.6257 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 4.1515 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5699 3.8360 0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 3.6177 -1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 3.9730 -1.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 0.0962 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -3.1258 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 5.8539 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 6.2153 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 6.0001 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1056 0.0877 3.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 -2.7846 -2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -2.2846 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6759 -0.2619 -1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2255 -0.9229 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 -2.0004 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 -1.3362 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -2.6517 -0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 -2.2864 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0042 0.0181 -0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 35 1 0 0 0 0 2 20 1 0 0 0 0 2 44 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 M END $$$$