L1GLN9 -OEChem-05022323342D 43 45 0 1 0 0 0 0 0999 V2000 4.6587 -0.4987 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 2.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 -4.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 -4.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4357 -1.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 3.8975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 3.6884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 1.2614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 0.4524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 2.9839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2044 2.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 4.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 4.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 2.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2278 -0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -4.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8155 3.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 2.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 2.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5751 4.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8470 5.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 5.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4218 4.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2222 3.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8707 -2.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 -2.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 -4.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 -0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4317 0.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5561 0.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 -4.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 -4.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 14 2 0 0 0 0 3 22 1 0 0 0 0 3 42 1 0 0 0 0 4 23 1 0 0 0 0 4 43 1 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 33 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 35 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 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 $$$$