LJOG18 -OEChem-05032301353D 47 47 0 1 0 0 0 0 0999 V2000 -2.3629 -1.4409 1.7151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3262 0.5030 -1.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1361 -3.4090 -0.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5662 1.0581 0.3117 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 1.9817 0.0068 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3802 -2.0844 -0.5012 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0256 0.8586 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3373 0.1381 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 0.2448 0.0093 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5228 0.8606 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5629 0.0516 -1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -1.1712 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4443 1.1246 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 2.2387 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 1.2738 -0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 -0.6571 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 0.2388 -1.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8262 -0.5179 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4426 1.4131 1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 0.5171 1.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6388 -1.7572 -1.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 -1.4650 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9724 0.9174 1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 1.8992 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 -0.8828 0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 0.2139 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4077 0.8961 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4621 0.3409 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6117 1.8891 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5324 -0.4066 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7961 -0.5620 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5435 1.0450 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 1.5430 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 3.2635 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6443 2.2007 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 2.4348 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 0.1320 -2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 -1.9231 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 2.2157 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8834 0.6400 2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 -1.6743 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -2.7342 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0775 -1.7257 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 -2.4878 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7506 -1.4303 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2470 -1.2158 2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -3.4410 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 47 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$