BJAG79 -OEChem-04022109013D 35 37 0 0 0 0 0 0 0999 V2000 -4.2910 -1.9839 0.5237 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 3.5443 -0.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 -2.7750 -0.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 -2.7430 1.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6726 -1.6817 0.8614 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0647 -2.3782 -2.1403 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7085 -0.6728 -1.8736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4176 3.0334 -0.4742 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 0.5783 0.5367 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 0.9920 -0.0537 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 -1.3443 -1.5277 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4839 0.8823 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2665 1.9647 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 1.3391 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -0.3519 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.4572 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6532 1.8742 -0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1289 2.6651 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 0.6401 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1139 0.2234 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -0.9184 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 0.6235 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 -1.6646 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9822 -0.1226 1.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3372 -1.2668 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 -1.2037 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 3.9564 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 2.7274 -0.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3318 0.5596 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 3.0875 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6011 1.5140 1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3841 -2.9762 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.5617 -0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 0.1871 2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2041 -1.8475 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 2 30 1 0 0 0 0 3 32 1 0 0 0 0 6 11 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 19 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 24 25 2 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 M CHG 2 6 -1 11 1 M END $$$$