REMARK  Name = BDB013032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.641   0.006  -0.005  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.994  -1.256   0.164  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.630  -1.250   0.339  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.269  -2.562   0.444  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.334  -3.327   0.367  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.143  -0.083   0.372  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.448   1.069   0.204  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.423  -2.503   0.192  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.815   1.079   0.012  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.734   2.247   1.211  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.975   1.106   0.291  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.056   0.142  -0.212  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.831  -0.710  -0.971  0.00  0.00    +0.117 A 
ATOM     14  N   LIG    1        6.103  -0.232  -0.900  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1        7.277  -0.795  -1.522  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        6.218   0.882  -0.158  0.00  0.00    -0.176 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.502  -0.183   0.576  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.865  -1.014   1.030  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.319   0.996   0.797  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.761   0.578   0.899  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -4.523   0.288  -0.229  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.178   0.393  -1.667  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.368  -0.358  -2.264  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.463  -0.334  -1.320  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.849  -0.107  -0.117  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.475  -0.235   1.105  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.727   0.031   2.252  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.383   0.428   2.151  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4