L1QSW0 -OEChem-05022323223D 52 54 0 1 0 0 0 0 0999 V2000 -5.2013 1.6356 0.9341 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -3.4914 0.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3860 1.7894 2.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9216 2.8080 0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2675 1.3427 -1.9859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -1.7458 -0.1611 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -2.0654 -0.1396 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 -1.1266 -0.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5660 0.8254 0.2852 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 -2.3882 -0.0558 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8970 -1.3810 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -3.2503 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 -0.4161 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -1.4183 1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9297 0.4744 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 -1.5605 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -2.3326 0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 0.5116 -0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6372 -0.4906 1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 -0.1969 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 0.0127 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1178 1.2770 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -3.4571 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 2.4189 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 1.3634 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 0.8114 -1.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 3.6474 -0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1108 2.5917 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 3.7338 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2080 0.0773 -1.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 -3.0699 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 -0.8226 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -2.6623 -2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2904 -4.0298 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 -3.7426 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -0.3686 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 -2.1646 2.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 1.2515 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1927 -0.5413 2.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2852 0.5341 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8272 -3.9294 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5347 -3.5298 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4547 -3.9307 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1978 0.3727 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4097 2.3825 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 0.4931 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5822 4.5363 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1481 2.6599 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 4.6901 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0307 0.5577 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1135 -0.9630 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4226 0.0981 -2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 17 2 0 0 0 0 5 26 2 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 23 1 0 0 0 0 8 21 2 0 0 0 0 9 26 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 14 19 2 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 2 0 0 0 0 25 46 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$