REMARK  Name = BDB021306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.895   2.147   1.729  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.850   1.427   1.052  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.185   0.734   0.148  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.825   0.946   0.252  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.109   0.302  -0.580  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.300  -0.501  -1.524  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.658  -0.713  -1.643  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.618  -0.156  -0.873  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.635   1.878   1.245  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.028  -0.505  -1.136  0.00  0.00    +0.011 A 
ATOM     11  CA  LIG    1        4.804  -1.274  -0.258  0.00  0.00    +0.074 A 
ATOM     12  N   LIG    1        6.105  -1.608  -0.516  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1        6.650  -1.154  -1.665  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        5.965  -0.385  -2.586  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.639  -0.059  -2.317  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1        4.253  -1.793   1.055  0.00  0.00    +0.211 C 
BRANCH  16  17
ATOM     17  O   LIG    1        5.126  -2.774   1.623  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        5.944  -2.714   1.085  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1        2.488   3.794   3.641  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        2.241   3.053   2.782  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1       -1.457   0.531  -0.423  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.927   0.196  -1.262  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.140  -0.036   0.737  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.552   0.465   0.778  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.583  -0.123   0.053  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.565  -1.267  -0.891  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.070  -1.498  -1.034  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.766  -0.278  -0.695  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.870   0.403   0.087  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.191   1.523   0.827  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.175   2.126   1.567  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -3.877   1.599   1.536  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -2.922   2.211   2.253  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 7