B91ICA -OEChem-04022103382D 33 36 0 0 0 0 0 0 0999 V2000 2.4612 2.0230 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.3564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 -2.3638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 2.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 1.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -0.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -2.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9155 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -2.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 2.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 -0.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 3.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 0.8053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 2.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 -0.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 -2.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6276 -3.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 4 16 1 0 0 0 0 5 21 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END $$$$