REMARK  Name = BDB013985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.766   0.282   0.433  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.443  -0.361   0.860  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.196  -1.521   0.503  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.445   0.392   1.631  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.008   1.446   2.504  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.845   2.497   2.109  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        1.184   3.493   3.058  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.721   3.453   4.369  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -0.098   2.412   4.765  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.409   2.740   0.727  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.454   1.425   3.845  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.428   1.591  -0.264  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.763  -0.548  -0.785  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.427  -0.648  -0.484  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        1.906  -1.493  -0.700  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.445   0.410  -0.417  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.324  -1.668  -1.700  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.058  -3.058  -1.131  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.253  -1.768  -3.179  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.788  -1.486  -1.830  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.999  -0.508  -1.597  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.789  -0.184   1.826  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.650  -0.178   0.556  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -3.052  -1.400  -0.089  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1       -3.874  -1.341  -1.252  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1       -4.276  -2.548  -1.875  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -3.893  -3.796  -1.391  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.090  -3.869  -0.271  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.274  -0.086  -1.769  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -5.129   0.041  -3.005  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -3.877   1.089  -1.124  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.680  -2.694   0.363  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -3.094   1.066   0.034  0.00  0.00    -0.045 A 
ATOM     34  C   LIG    1       -2.737   2.396   0.647  0.00  0.00    +0.044 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5