B5ETA4 -OEChem-04022112423D 26 27 0 0 0 0 0 0 0999 V2000 -2.1426 1.1088 2.5710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1814 -0.1703 -2.7895 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 0.8670 -0.2163 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4104 -1.7048 0.3455 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 2.7173 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 0.4289 -0.0752 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2419 0.4510 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7297 -0.7450 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9104 0.5699 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 0.0100 -1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3826 -1.9461 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2463 -0.6895 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2648 0.2478 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -0.3122 -1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9507 -0.1933 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 0.3937 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7731 -1.9422 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -0.7541 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3755 1.6628 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -2.8727 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8032 0.3339 2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 -0.6579 -2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0052 -0.4443 0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 -2.8632 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5429 -0.7430 0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4787 1.6523 -0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 16 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$