REMARK  Name = BDB031393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.998  -0.847  -0.966  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.989   0.241  -0.976  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.276  -0.162  -1.781  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.653  -1.593  -1.705  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.498  -2.422  -2.157  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.897  -1.748  -2.126  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.765   0.531   0.175  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.883   0.177   1.137  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -3.669  -0.287   0.740  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -2.748  -0.708   1.851  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -3.278  -0.395  -0.611  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.227  -0.016  -1.569  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.483   0.450  -1.181  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -8.817   2.763   0.397  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.614   2.114  -0.061  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -6.978   2.652  -0.634  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.098   1.034   0.644  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.674   0.523   1.598  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.040  -1.986  -0.334  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.285  -1.281   0.167  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.487  -1.365  -0.554  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        4.629  -0.718  -0.084  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.591   0.016   1.115  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.827   0.660   1.530  0.00  0.00    +0.138 A 
ATOM     25  O   LIG    1        5.913   1.399   2.698  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        7.240   1.977   2.611  0.00  0.00    +0.234 C 
ATOM     27  C   LIG    1        8.029   1.278   1.497  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1        6.944   0.557   0.823  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1        7.005  -0.199  -0.429  0.00  0.00    +0.256 A 
ATOM     30  O   LIG    1        8.039  -0.284  -1.081  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1        3.401   0.096   1.838  0.00  0.00    +0.014 A 
ATOM     32  N   LIG    1        5.830  -0.800  -0.816  0.00  0.00    -0.322 N 
ATOM     33  H   LIG    1        5.862  -1.326  -1.679  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1        2.254  -0.551   1.367  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4