@MOLECULE n-(2-carboxybenzoyl)-l-glutamic acid 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6544 -3.4202 -0.1548 O.3 1 GLU111111111 -0.5508 2 OXT -2.2375 -1.9635 -1.7957 O.2 1 GLU111111111 -0.4999 3 O 0.8847 -1.7689 1.8741 O.2 0 UNK0 -0.4967 4 OE1 -2.0177 2.7610 -0.6822 O.3 1 GLU1 -0.6194 5 OE2 -3.4996 2.5326 0.9638 O.2 1 GLU1 -0.4626 6 O 0.3311 1.5020 -1.0229 O.3 0 UNK0 -0.5999 7 O 1.0561 2.5831 0.7878 O.2 0 UNK0 -0.4687 8 N -0.1775 -1.0406 0.0113 N.am 1 GLU1 -0.6016 9 CA -1.4810 -1.4817 0.4911 C.3 1 GLU1 0.0298 10 CB -2.3926 -0.2979 0.8778 C.3 1 GLU1 -0.2861 11 CG -2.7944 0.5753 -0.3161 C.3 1 GLU1 -0.3542 12 C -2.1364 -2.2687 -0.6386 C.2 1 GLU1 0.6120 13 C 0.9375 -1.1700 0.8212 C.2 0 UNK0 0.5765 14 C 2.2010 -0.5909 0.2776 C.ar 0 UNK0 -0.0891 15 C 2.3351 0.7420 -0.1099 C.ar 0 UNK0 -0.0854 16 CD -2.8564 2.0070 0.1020 C.2 1 GLU1 0.6527 17 C 3.3014 -1.4468 0.2101 C.ar 0 UNK0 -0.1032 18 C 3.5606 1.2201 -0.5737 C.ar 0 UNK0 -0.1142 19 C 4.5243 -0.9725 -0.2602 C.ar 0 UNK0 -0.1316 20 C 4.6534 0.3587 -0.6526 C.ar 0 UNK0 -0.1254 21 C 1.2164 1.7080 -0.0190 C.2 0 UNK0 0.6356 22 HA -1.3423 -2.1544 1.3954 H 1 GLU1 0.2136 23 HB1 -1.8674 0.3048 1.6530 H 1 GLU1 0.1799 24 HB2 -3.2986 -0.6816 1.3924 H 1 GLU1 0.1694 25 HG1 -3.7876 0.2656 -0.7163 H 1 GLU1 0.1906 26 HG2 -2.1061 0.4365 -1.1845 H 1 GLU1 0.2022 27 H -0.1604 -0.4402 -0.8104 H 1 GLU1 0.3452 28 H 3.2007 -2.4851 0.5359 H 0 UNK0 0.1737 29 H 3.6645 2.2651 -0.8706 H 0 UNK0 0.1680 30 H 5.3812 -1.6436 -0.3161 H 0 UNK0 0.1588 31 H 5.6109 0.7296 -1.0180 H 0 UNK0 0.1581 32 H -3.0915 -3.9860 -0.8397 H 1 GLU1 0.3582 33 HE1 -1.9776 3.7178 -0.4321 H 1 GLU1 0.3756 34 H -0.4923 2.0721 -0.9724 H 0 UNK0 0.3889 @BOND 1 1 12 1 2 1 32 1 3 2 12 2 4 3 13 2 5 4 16 1 6 4 33 1 7 5 16 2 8 6 21 1 9 6 34 1 10 7 21 2 11 8 9 1 12 8 13 am 13 8 27 1 14 9 10 1 15 9 12 1 16 9 22 1 17 10 11 1 18 10 23 1 19 10 24 1 20 11 16 1 21 11 25 1 22 11 26 1 23 13 14 1 24 14 15 ar 25 14 17 ar 26 15 18 ar 27 15 21 1 28 17 19 ar 29 17 28 1 30 18 20 ar 31 18 29 1 32 19 20 ar 33 19 30 1 34 20 31 1