L3DUE2 -OEChem-05032300133D 52 56 0 0 0 0 0 0 0999 V2000 3.9779 3.5305 -0.0404 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8751 0.0422 -0.6871 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7324 0.0886 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4018 0.4402 -1.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -2.5717 2.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 -2.2966 -0.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 2.0368 -0.8516 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 -1.2041 0.2048 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6682 -2.7484 1.1503 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2018 -1.5201 -0.8206 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8058 -1.1586 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0311 -2.1017 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 -1.5976 -1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1971 -1.8034 -1.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -2.3376 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3575 -0.4521 -1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9567 -0.6703 -2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9854 -2.2227 1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4548 1.0285 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 -0.3831 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 0.9767 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6121 1.8072 1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 1.8870 -1.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3905 -0.9463 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0551 1.0011 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 0.1187 1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 2.6651 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9401 2.7037 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 1.7553 2.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -0.1254 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1521 1.8221 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4166 0.0801 3.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 0.8969 3.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3684 1.2588 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -1.2012 -2.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3126 -2.8482 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 -3.0775 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 0.2589 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 -3.4811 1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3155 -0.1175 -2.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -2.1611 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5788 1.9464 -2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 1.4414 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 -0.5731 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 3.3104 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6264 3.3699 -2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 2.3830 2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4354 -0.5652 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7217 -0.5944 3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7429 0.8640 4.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4389 -2.4995 -0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 1.4676 -1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 5 18 2 0 0 0 0 6 24 1 0 0 0 0 6 51 1 0 0 0 0 7 34 1 0 0 0 0 7 52 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 40 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 22 29 2 0 0 0 0 23 28 1 0 0 0 0 23 42 1 0 0 0 0 24 30 2 0 0 0 0 25 31 1 0 0 0 0 25 43 1 0 0 0 0 26 32 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 33 1 0 0 0 0 29 47 1 0 0 0 0 30 34 1 0 0 0 0 30 48 1 0 0 0 0 31 34 2 0 0 0 0 32 33 2 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 M END $$$$