REMARK  Name = BDB040862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.704  -1.090   0.469  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.657  -0.473  -0.376  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.431  -1.410  -0.494  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.151  -1.853   0.797  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.937  -2.428   1.619  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.194  -1.537   1.788  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.478   0.717   0.623  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.460   1.457   0.138  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.246   0.863   0.094  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.256   1.632  -0.389  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.959  -0.450   0.523  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        5.064  -1.169   1.006  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.332  -0.591   1.064  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.202   1.182   0.136  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.891   0.597   0.265  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.695  -0.237  -0.273  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.819   1.381   0.669  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.938   2.545   1.034  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.837  -0.765   1.514  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.088  -0.278   0.808  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -2.218   1.092   0.471  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -3.386   1.535  -0.179  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.886   2.773  -0.670  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.134   2.543  -1.223  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1       -5.406   1.210  -1.084  0.00  0.00    -0.331 N 
ATOM     26  C   LIG    1       -6.590   0.440  -1.494  0.00  0.00    +0.116 C 
ATOM     27  C   LIG    1       -6.466  -1.081  -1.136  0.00  0.00    +0.243 C 
ATOM     28  N   LIG    1       -5.342  -1.554  -0.494  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -5.319  -2.545  -0.290  0.00  0.00    +0.155 HD
ATOM     30  C   LIG    1       -4.270  -0.743  -0.141  0.00  0.00    +0.058 A 
ATOM     31  O   LIG    1       -7.364  -1.884  -1.413  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1       -7.835   0.979  -0.772  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -6.770   0.537  -3.017  0.00  0.00    +0.044 C 
ATOM     34  C   LIG    1       -4.361   0.597  -0.456  0.00  0.00    +0.071 A 
ATOM     35  C   LIG    1       -3.121  -1.185   0.502  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4