L8QJA6 -OEChem-05022322053D 36 38 0 1 0 0 0 0 0999 V2000 -5.2840 -0.7665 0.5794 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.2644 0.8667 0.5169 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 0.2370 0.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5275 -2.5918 -0.5389 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7249 -2.0798 -0.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2618 -0.0903 -0.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9118 -1.0191 1.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 0.1822 -0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 -1.8446 -0.7705 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 1.1265 0.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8602 -0.4576 0.3488 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2878 1.6742 1.2523 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 1.3392 0.1699 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1111 2.2739 -1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 1.4799 -0.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4380 1.8533 -1.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3654 0.5266 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 0.1349 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6313 -1.0318 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 -1.1175 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 -1.4993 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3574 0.8040 0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 1.8522 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 2.2286 -1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1876 3.3083 -0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 2.3779 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 2.6412 -2.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 0.9824 -2.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -0.4106 -1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 0.9758 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 -1.2667 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -0.6224 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0235 2.6024 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 1.4166 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3048 -2.8673 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1578 -0.4666 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 4 21 2 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 22 2 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 32 1 0 0 0 0 12 22 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$