REMARK  Name = BDB061191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.779  -0.265  -0.051  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.979  -1.052   0.901  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.657  -0.764   0.970  0.00  0.00    -0.214 N 
ATOM      4  C   LIG    1        0.144  -1.612   1.930  0.00  0.00    +0.351 A 
ATOM      5  N   LIG    1        1.231  -2.374   2.357  0.00  0.00    -0.226 N 
ATOM      6  H   LIG    1        1.220  -3.088   3.074  0.00  0.00    +0.194 HD
ATOM      7  O   LIG    1       -1.001  -1.683   2.347  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1        0.044   0.207   0.195  0.00  0.00    +0.206 A 
ATOM      9  N   LIG    1        0.745   0.910  -0.650  0.00  0.00    -0.223 NA
ATOM     10  N   LIG    1        2.376  -1.999   1.700  0.00  0.00    -0.151 NA
ATOM     11  C   LIG    1        2.093   0.657  -0.748  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        4.773   0.746   1.943  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        5.169   0.009   0.695  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        4.220  -0.460  -0.224  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        4.688  -1.130  -1.362  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        6.053  -1.315  -1.549  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.915  -0.819  -0.589  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        6.506  -0.163   0.517  0.00  0.00    -0.260 NA
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  N   LIG    1       -1.305   0.395   0.339  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.735  -0.053   1.148  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.975   1.591  -0.126  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.463   1.413  -0.035  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.151   0.477  -0.803  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.638  -0.533  -1.760  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.958  -0.952  -2.406  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.045  -0.648  -1.502  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.527   0.326  -0.689  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.281   1.084   0.183  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.617   2.037   0.956  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.229   2.194   0.841  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.629   3.118   1.605  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 4