REMARK  Name = BDB016400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.505  -1.509   2.319  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.801  -0.443   1.258  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.761  -0.513   0.244  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.860  -0.797   0.630  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.599   0.557  -0.661  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.633   1.433  -1.070  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.344   2.472  -1.980  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.079   2.631  -2.534  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.073   1.743  -2.193  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.985   1.411  -0.666  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.572   2.164  -1.006  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.721   0.539   0.066  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.917   0.793   0.241  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.311   0.701  -1.278  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.132  -0.726   0.599  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.814  -0.207  -0.977  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        1.866   0.210  -0.134  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        2.961  -0.615   0.191  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        2.938  -1.908  -0.361  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        1.907  -2.345  -1.202  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.852  -1.496  -1.511  0.00  0.00    +0.009 A 
BRANCH  18  22
ATOM     22  N   LIG    1        3.985  -0.189   1.048  0.00  0.00    -0.336 N 
ATOM     23  C   LIG    1        4.123   1.239   1.331  0.00  0.00    +0.129 C 
ATOM     24  C   LIG    1        5.222  -0.966   1.113  0.00  0.00    +0.129 C 
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 2