@MOLECULE l-isoglutamine 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.4113 1.9220 -0.0924 N.3 1 UNL1111111111111 -0.6358 2 C 1.1618 0.5577 0.4066 C.3 1 UNL1111111111111 -0.0221 3 C 2.3623 -0.3019 -0.0172 C.2 1 UNL1111111111111 0.5702 4 O 2.7866 -0.3072 -1.1532 O.2 1 UNL1111111111111 -0.5211 5 C -0.1025 -0.1229 -0.1589 C.3 1 UNL1111111111111 -0.3131 6 C -1.3675 0.5158 0.4109 C.3 1 UNL1111111111111 -0.3419 7 C -2.5750 -0.2635 -0.0067 C.2 1 UNL1111111111111 0.6428 8 O -2.6552 -1.3993 -0.3886 O.2 1 UNL1111111111111 -0.4934 9 O -3.6834 0.5146 0.1146 O.3 1 UNL1111111111111 -0.5709 10 N 2.9227 -1.1153 0.9440 N.am 1 UNL1111111111111 -0.6841 11 H 0.5638 2.4616 -0.1557 H 1 UNL1111111111111 0.2544 12 H 1.8667 1.9131 -0.9977 H 1 UNL1111111111111 0.2739 13 H 1.0880 0.6334 1.5232 H 1 UNL1111111111111 0.1553 14 H -0.0996 -0.0739 -1.2680 H 1 UNL1111111111111 0.1729 15 H -0.0890 -1.2108 0.0700 H 1 UNL1111111111111 0.1749 16 H -1.3311 0.5545 1.5232 H 1 UNL1111111111111 0.1813 17 H -1.4676 1.5764 0.0909 H 1 UNL1111111111111 0.1806 18 H -4.5239 0.0609 -0.1395 H 1 UNL1111111111111 0.3593 19 H 3.7082 -1.6916 0.7102 H 1 UNL1111111111111 0.3138 20 H 2.6454 -1.1022 1.8986 H 1 UNL1111111111111 0.3032 @BOND 1 1 2 1 2 1 11 1 3 1 12 1 4 2 3 1 5 2 5 1 6 2 13 1 7 3 4 2 8 3 10 am 9 5 6 1 10 5 14 1 11 5 15 1 12 6 7 1 13 6 16 1 14 6 17 1 15 7 8 2 16 7 9 1 17 9 18 1 18 10 19 1 19 10 20 1