REMARK  Name = BDB005617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.255   0.442   1.058  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.985  -0.227   0.045  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.331  -1.253  -0.667  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.990  -1.925  -1.703  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -1.520  -2.650  -2.227  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.264  -1.650  -2.102  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.989  -0.601  -1.346  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -5.411  -0.324  -1.764  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.194   0.499  -0.735  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.332   1.615  -0.155  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -4.111   1.032   0.366  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.512   1.651   0.916  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -3.776  -2.251  -3.042  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.013  -1.625  -0.384  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        0.700  -0.969   0.619  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -3.400   0.067  -0.334  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.069   0.062   1.333  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.232   2.031   2.855  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.882   1.474   1.718  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.126  -1.364   0.941  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.083  -0.253   0.811  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        3.156   0.258  -0.567  0.00  0.00    +0.087 C 
ATOM     23  C   LIG    1        4.435   1.052  -0.819  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1        5.657   0.145  -0.663  0.00  0.00    +0.152 C 
ATOM     25  C   LIG    1        5.441  -0.978   0.358  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1        4.392  -0.584   1.395  0.00  0.00    +0.087 C 
BRANCH  24  27
ATOM     27  N   LIG    1        6.877   0.982  -0.387  0.00  0.00    -0.066 NA
ATOM     28  O   LIG    1        7.078   1.174   0.817  0.00  0.00    -0.149 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4