LL7JM9 -OEChem-05032301262D 42 44 0 0 0 0 0 0 0999 V2000 4.7215 2.2822 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -1.1066 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8769 4.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3041 2.6186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.2947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1827 4.0034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 1.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3906 3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9428 0.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 5.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9258 4.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4611 6.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -0.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4035 0.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 1.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 4.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 6.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1431 5.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 5.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9218 6.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 6.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 42 1 0 0 0 0 5 26 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 28 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 27 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$