B5QUV4 -OEChem-04022106322D 43 46 0 1 0 0 0 0 0999 V2000 6.1407 2.3036 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 1.1469 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.1574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5194 0.4026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2625 -0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4979 0.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 -0.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8086 1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 -0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -0.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7871 1.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1442 0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4549 1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 1.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9127 0.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4013 -2.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 0.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4123 -1.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 -0.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3965 -2.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9731 -0.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9935 -0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9935 -2.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9797 2.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5583 -0.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0616 1.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 2.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 3.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 2.2716 0.0000 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 $$$$