B5QUV4 -OEChem-04042103063D 43 46 0 1 0 0 0 0 0999 V2000 -1.9653 0.2718 2.7384 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.1143 -0.9532 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 2.3477 -1.7718 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1803 0.6170 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 -0.6284 0.0045 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7808 1.4057 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 1.2215 -1.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 2.4849 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3321 -0.5591 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4136 1.3047 1.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 0.8436 -2.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 3.4722 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 -0.1630 1.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 -0.9045 -0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 2.2848 1.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 3.3509 0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 -2.2198 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 -0.1125 1.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 -0.8540 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1111 -0.4580 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 -2.9717 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4254 -1.5500 -1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1268 -3.0537 1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 -1.6320 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1113 -2.3838 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4011 -0.8604 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 2.9889 -2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2035 0.4787 2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 1.0710 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0815 1.4185 -3.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 -0.2067 -3.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 4.3025 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 -1.2451 -1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 2.2109 2.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3562 4.1007 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7867 0.1938 2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1446 -1.1286 -1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1931 -0.4200 0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 -3.4994 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -0.9624 -2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -3.6385 1.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 -1.1106 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 -2.4473 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 5 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$