B4UQP7 -OEChem-04012113243D 42 43 0 0 0 0 0 0 0999 V2000 0.9544 1.1604 0.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 2.2992 0.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2138 -0.1362 -0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 0.0206 0.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 -1.1529 0.2773 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 1.4007 -0.5982 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 -1.1707 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -1.0019 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 0.0262 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -1.2058 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 0.0752 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 -0.9816 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -2.3465 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9196 -2.4250 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 1.2031 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1094 -1.2498 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2188 1.1479 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8572 -0.0749 0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 0.1744 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 2.6590 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 3.0033 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7890 -1.4247 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 -2.1073 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -0.3612 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -0.0907 -1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -1.8293 -1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 -1.9168 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1713 -0.9163 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0223 -3.2392 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 -3.3769 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 2.1644 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5561 -2.2264 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4245 1.4351 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5074 3.3820 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2291 3.0025 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 2.5422 1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2465 3.3222 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7829 3.8914 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 2.3789 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -1.8644 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8732 -1.2857 -0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6075 -2.0891 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 22 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 12 19 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$