L2GLU4 -OEChem-05022323342D 48 49 0 1 0 0 0 0 0999 V2000 6.0010 5.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0670 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 3.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 2.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 3.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 4.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 5.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 5.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 5.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 5.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 5.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 4.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -2.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -1.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -5.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -5.4330 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 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 43 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 1 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 3 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$