BS2QU3 -OEChem-04022104003D 33 35 0 0 0 0 0 0 0999 V2000 -1.6592 -2.0845 0.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 -2.3180 0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6498 -0.0848 -0.0187 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 1.1190 0.0215 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 -0.2186 -0.0082 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 0.0360 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 1.3807 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0376 1.9969 0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 -1.2657 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.3314 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9534 -1.1094 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 -0.7251 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8678 -0.0488 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 3.4400 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3517 -2.4665 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 1.3451 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0502 -0.7886 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1495 1.9992 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 -0.1347 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3318 1.2593 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 1.8442 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -1.7271 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7997 -1.7291 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9916 -0.7599 -0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 3.7047 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6655 4.0336 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 3.7306 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1614 -3.5294 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 1.9422 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0533 -1.8755 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 3.0845 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2032 -0.7102 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2911 1.7684 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 15 2 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$