L8R4AQ -OEChem-05022323153D 47 47 0 1 0 0 0 0 0999 V2000 4.6510 2.3842 -0.5632 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 1.9172 -0.9485 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 1.0055 -0.6094 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8231 0.0073 -1.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 -2.0991 -0.1867 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 3.1806 0.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 1.9397 0.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7045 3.1406 -1.8583 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3684 -1.2612 0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 0.4092 0.7636 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 -3.3764 -0.0483 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3187 0.9689 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7183 0.9881 1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.7859 1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7644 0.1444 0.4462 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9215 1.7784 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0016 0.6414 -0.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -0.9409 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 -0.9869 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 0.3404 0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8061 -2.1111 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7131 0.2329 0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -3.2923 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 -2.2184 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8094 -4.5784 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 -0.0651 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3602 1.3784 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6471 0.6274 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0639 2.0278 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 2.8224 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2933 1.3825 2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7212 0.1995 0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 2.2065 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 2.4101 1.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1302 -1.8129 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -1.6201 1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 1.2580 0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 0.8251 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7216 -0.0437 0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 -2.3223 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2706 -4.5286 -1.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -5.4139 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.7951 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6355 2.2577 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 -1.1898 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2396 4.1045 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 2.6079 0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 17 1 0 0 0 0 2 44 1 0 0 0 0 3 22 1 0 0 0 0 4 17 2 0 0 0 0 5 21 1 0 0 0 0 5 45 1 0 0 0 0 6 46 1 0 0 0 0 7 47 1 0 0 0 0 9 15 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 16 1 0 0 0 0 10 20 2 0 0 0 0 11 23 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 24 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$