REMARK  Name = BDB013073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.955   0.320  -0.242  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        2.358   0.150   1.040  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.029  -0.199   1.081  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.708  -0.261   2.406  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.768   0.003   3.135  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.247  -0.406  -0.063  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.794  -0.238  -1.237  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.812   0.258   2.274  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.125   0.123  -1.293  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.192  -1.059  -2.193  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        5.307   0.107  -1.285  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        4.328   0.688  -0.432  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        5.002   1.709   0.203  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        4.653   2.723   1.218  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.283   1.749  -0.253  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        6.475   0.754  -1.192  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.074  -0.772   0.085  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.337  -1.248   0.941  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.862  -1.205  -1.058  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.306  -1.295  -0.660  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.093  -0.165  -0.458  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.736   1.273  -0.528  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.140   1.878  -0.489  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.046   0.928   0.120  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.418  -0.277  -0.055  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.019  -1.499   0.167  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.253  -2.646  -0.036  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.916  -2.537  -0.443  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.204  -3.661  -0.606  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4