REMARK  Name = BDB031598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.773  -0.078   0.763  0.00  0.00    -0.288 N 
ATOM      2  H   LIG    1        0.553   0.234  -0.181  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.252  -0.765   1.354  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1       -1.465  -0.669   0.720  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -1.758  -0.073  -0.508  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1       -3.105  -0.230  -0.799  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -3.611   0.281  -1.980  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.723   0.930  -2.835  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.384   1.036  -2.462  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -3.821  -0.950   0.294  0.00  0.00    +0.058 C 
ATOM     11  N   LIG    1       -0.870   0.546  -1.308  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1       -2.666  -1.325   1.233  0.00  0.00    +0.121 C 
ATOM     13  O   LIG    1       -0.106  -1.399   2.397  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        4.120   1.117  -2.237  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        3.627   0.720  -1.185  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.517  -0.621  -0.922  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.854  -1.240  -1.647  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.789  -1.230   0.076  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1        2.574  -2.439   0.024  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        2.162  -0.301   1.122  0.00  0.00    +0.161 C 
ATOM     21  C   LIG    1        2.936   1.011   1.208  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        3.055   1.667  -0.159  0.00  0.00    +0.098 C 
ENDBRANCH   1  20
TORSDOF 1