REMARK  Name = BDB031601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.695   0.029  -1.038  0.00  0.00    -0.303 N 
ATOM      2  H   LIG    1       -0.575  -0.549  -0.206  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.401   0.239  -1.841  0.00  0.00    +0.221 C 
ATOM      4  O   LIG    1        0.337   0.898  -2.877  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.701  -0.432  -1.394  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        2.010  -0.193   0.067  0.00  0.00    -0.015 A 
ATOM      7  C   LIG    1        1.559  -1.122   1.016  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        1.772  -0.851   2.371  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.469   0.290   2.774  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.938   1.193   1.824  0.00  0.00    +0.000 A 
ATOM     11  N   LIG    1        0.761  -2.205   0.644  0.00  0.00    -0.344 N 
ATOM     12  H   LIG    1        0.766  -2.953   1.336  0.00  0.00    +0.146 HD
ATOM     13  C   LIG    1        0.773  -2.704  -0.732  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1        2.702   0.959   0.472  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        1.697  -1.935  -1.667  0.00  0.00    +0.036 C 
ENDBRANCH   3   5
BRANCH   1  22
ATOM     16  O   LIG    1       -3.452   1.712   2.374  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.081   1.454   1.232  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -3.568   0.357   0.568  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.208  -0.219   1.097  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -3.056  -0.220  -0.570  0.00  0.00    +0.240 C 
ATOM     21  O   LIG    1       -3.345  -1.380  -0.860  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -2.003   0.587  -1.335  0.00  0.00    +0.160 C 
ATOM     23  C   LIG    1       -2.097   2.070  -0.983  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -2.027   2.268   0.523  0.00  0.00    +0.098 C 
ENDBRANCH   1  22
TORSDOF 2