BQ53WS -OEChem-04022111503D 50 53 0 0 0 0 0 0 0999 V2000 2.1752 2.8341 -0.8150 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -1.3584 1.2075 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 -0.9416 2.2795 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 -0.8304 -0.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5356 0.8037 0.0378 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7288 2.1194 0.2322 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 0.8602 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3819 -1.3855 -0.1231 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 0.0071 -1.6449 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4006 -1.6267 0.0144 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5252 1.6408 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2332 0.4648 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1102 1.8655 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 2.6255 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -1.1065 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 1.2602 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 0.4006 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 -2.5886 -1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6224 -0.0702 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 3.0113 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 0.4528 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -0.5418 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 -0.4515 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 -3.0060 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8795 0.4607 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -0.4147 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 -0.6991 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4555 -2.2059 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7515 -1.7750 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 0.1949 3.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 3.6923 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 -0.5201 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8868 -0.8550 -2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7915 -3.1764 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3988 -2.8204 -2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 3.9186 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5817 1.1127 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -2.4440 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4149 -2.8481 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 -4.0701 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0716 1.5164 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9606 -0.0383 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -3.2568 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5781 -2.4756 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4939 0.0429 4.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 1.2316 3.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 0.0010 4.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6948 0.7271 -2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 -0.1868 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3063 -1.6390 -0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 30 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 6 14 2 0 0 0 0 7 13 1 0 0 0 0 7 16 2 0 0 0 0 8 19 1 0 0 0 0 8 28 2 0 0 0 0 9 27 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 27 2 0 0 0 0 10 50 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 20 2 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 25 2 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 23 27 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 29 2 0 0 0 0 26 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$