REMARK  Name = BDB013977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.501  -0.450  -1.979  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.015  -0.133  -1.962  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.413   0.707  -2.765  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.830  -0.791  -1.064  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.498  -1.875  -0.163  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.551  -2.804  -0.330  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        0.737  -3.820   0.651  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.069  -3.935   1.776  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.094  -3.031   1.951  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.542  -2.930  -1.464  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.300  -2.029   0.999  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.642  -1.857  -2.523  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.493  -0.160  -0.526  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.129  -0.185  -0.692  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        1.516   0.053   0.081  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.264  -0.445  -1.442  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.978   0.155   0.915  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.299   1.380   1.528  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.004   1.472   0.409  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.461   0.233   0.957  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.806  -0.535   0.371  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.206  -0.265  -1.052  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.491   0.946  -0.169  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -3.822   1.469  -0.103  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -4.086   2.594   0.726  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -5.383   3.124   0.812  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.436   2.566   0.092  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.203   1.471  -0.727  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.050   3.183   1.461  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1       -1.759   2.677   1.391  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.917   0.932  -0.823  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -1.489   1.576   0.588  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -0.223   1.131   0.584  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5