REMARK  Name = BDB031299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.516  -0.644  -1.144  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        2.700  -0.474  -0.028  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1        3.093  -0.229   1.399  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        1.770  -0.473   2.130  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1        0.714  -0.363   1.119  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1       -0.615  -0.309   1.504  0.00  0.00    +0.311 C 
ATOM      7  N   LIG    1       -1.482   0.108   0.520  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -1.040   0.648  -0.209  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1       -0.943  -0.546   2.666  0.00  0.00    -0.252 OA
ATOM     10  C   LIG    1        1.305  -0.543  -0.147  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        0.707  -0.841  -1.363  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.522  -1.037  -2.482  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        2.915  -0.940  -2.375  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -2.890   0.142   0.570  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.544   0.856  -0.448  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -4.920   0.880  -0.415  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -5.652   0.225   0.571  0.00  0.00    +0.067 A 
ATOM     18  N   LIG    1       -7.001   0.443   0.320  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -7.784   0.102   0.854  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -7.123   1.238  -0.828  0.00  0.00    +0.325 A 
ATOM     21  O   LIG    1       -8.158   1.625  -1.340  0.00  0.00    -0.247 OA
ATOM     22  C   LIG    1       -5.046  -0.489   1.573  0.00  0.00    +0.029 A 
ATOM     23  N   LIG    1       -5.820   1.501  -1.275  0.00  0.00    -0.306 N 
ATOM     24  H   LIG    1       -5.611   2.056  -2.088  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -3.644  -0.529   1.562  0.00  0.00    +0.025 A 
ENDBRANCH   7  14
BRANCH   1  29
ATOM     26  C   LIG    1        6.943   0.716  -0.357  0.00  0.00    +0.128 C 
ATOM     27  N   LIG    1        5.523   0.472  -0.362  0.00  0.00    -0.314 N 
ATOM     28  H   LIG    1        4.911   1.238  -0.117  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        4.996  -0.574  -1.090  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1        5.670  -1.386  -1.712  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 2