B2OQR0 -OEChem-04022113093D 54 57 0 0 0 0 0 0 0999 V2000 6.5867 -2.2021 2.5658 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 5.6557 1.1974 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 -0.6325 -0.4044 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6029 -3.0881 -0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 0.8729 -3.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 -0.9367 -0.4269 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 0.2793 -1.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 -1.3473 -2.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4849 -1.3497 -1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7388 -1.9332 -0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 0.0796 -2.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -2.1283 -3.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -0.5757 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 -1.2407 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 1.5721 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8701 -2.3790 1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1787 2.5814 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9190 -0.3997 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 1.8255 0.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6636 0.0917 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 -2.6762 1.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 3.8442 -0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0865 -0.6969 0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 3.0882 1.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 -1.8350 1.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 4.0976 0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -0.0050 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 0.9469 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7232 -1.0464 1.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3595 0.8573 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1096 -1.1361 1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9278 -0.1842 1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0206 -0.9152 -2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 -2.3773 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0842 -1.6943 -4.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 -2.1237 -3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 -3.1750 -3.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3666 -1.0067 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 0.4754 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0252 -3.0387 1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 2.3970 -2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9462 0.4659 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8892 1.0551 1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 1.1429 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 -0.3175 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -3.5605 2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 4.6207 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9466 -0.0392 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 3.2720 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5421 1.7618 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0965 -1.7953 2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9966 1.5981 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5522 -1.9473 2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0072 -0.2542 1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 17 22 1 0 0 0 0 17 41 1 0 0 0 0 18 23 2 0 0 0 0 18 42 1 0 0 0 0 19 24 2 0 0 0 0 19 43 1 0 0 0 0 20 27 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 25 2 0 0 0 0 21 46 1 0 0 0 0 22 26 2 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$