BRS20J -OEChem-04022104103D 23 24 0 0 0 0 0 0 0999 V2000 -3.9708 -0.9558 0.0168 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -0.2597 -0.0820 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 -1.0087 1.3498 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7621 0.7342 0.0652 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -1.1657 -1.2764 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.0048 -0.0175 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5689 1.8235 -0.0215 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9739 1.5150 -0.0052 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 0.8527 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3643 0.4889 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -0.3903 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 0.1932 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 -1.8172 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.2551 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8473 2.2496 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 1.4978 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 1.4758 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -1.0104 -0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 -2.4970 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2105 -3.2768 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 3.3252 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1122 -1.7019 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 0.3584 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 15 2 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 M END $$$$