B8P3YL -OEChem-04022115393D 38 40 0 0 0 0 0 0 0999 V2000 -6.7701 2.3281 0.6349 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2926 -2.8184 -1.1397 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 0.7056 2.0996 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 -2.0035 1.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2101 -0.1854 -1.3833 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3919 2.1481 -1.7159 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -3.2089 0.4372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 3.6557 -0.5278 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 0.1498 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6456 0.3257 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -1.1221 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 1.2543 -0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 -1.2350 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 1.0352 -1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0379 -2.3515 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8938 0.3200 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4485 -0.7159 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8016 0.5256 1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3783 -1.6979 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 0.5160 0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5281 -0.7971 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 0.3066 1.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 -2.2764 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5552 0.1442 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4232 1.2481 1.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 2.5824 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5026 1.1669 0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 -3.2590 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 -1.6857 -1.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0135 0.1797 -1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 0.5763 2.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 0.5568 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6044 -1.5914 -1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.3896 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 1.9418 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2847 3.0355 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3921 0.0668 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 2.0403 2.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 19 2 0 0 0 0 5 13 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 23 3 0 0 0 0 8 26 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 16 1 0 0 0 0 10 18 2 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 31 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 24 27 2 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$