B0R4TM -OEChem-04022103113D 42 43 0 0 0 0 0 0 0999 V2000 2.9030 -2.2951 -0.7990 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -1.9807 1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5638 1.3252 1.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 -0.2992 0.2354 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 0.2846 -0.9736 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6854 0.7579 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 0.0839 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9682 1.8369 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8516 -0.2716 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8501 1.4990 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 -0.8934 -0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 0.4307 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 -1.1771 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -1.5239 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 -0.2000 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4544 -1.8515 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 -2.3388 -0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1266 -0.5926 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5771 1.6022 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 2.0109 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5834 0.9981 0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 2.5944 -1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9598 2.2860 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2384 2.6539 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9473 1.4019 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7907 -0.8204 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8322 -1.0082 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8279 0.2256 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8044 0.8086 -2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0571 2.2438 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8135 2.0187 -1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6809 -1.1850 -1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 1.1836 1.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 -2.2925 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 0.0867 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -1.7386 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 -3.3737 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8389 -1.0585 0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 3.0540 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5564 2.5225 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8568 3.6260 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 2.3950 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 21 2 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 4 38 1 0 0 0 0 5 18 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 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 $$$$