LGJ4D0 -OEChem-05022323452D 43 46 0 1 0 0 0 0 0999 V2000 4.4026 -0.3401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 0.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 -2.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.4205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 -0.8374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9405 0.1626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 0.4700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6844 -2.0997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3548 -2.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0474 -3.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3326 -2.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 -3.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6956 -4.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -1.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -0.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4934 -0.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2687 -1.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 -1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 0.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 2.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 3.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -2.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4412 -3.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5231 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5273 -5.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -3.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1113 -4.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 10 2 1 6 0 0 0 2 31 1 0 0 0 0 11 3 1 6 0 0 0 3 32 1 0 0 0 0 13 4 1 1 0 0 0 4 35 1 0 0 0 0 12 5 1 1 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 15 2 0 0 0 0 6 24 1 0 0 0 0 7 21 1 0 0 0 0 7 24 2 0 0 0 0 8 21 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 6 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$