REMARK  Name = BDB013975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.879  -0.954   0.072  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.889   0.222  -0.079  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.287   1.385   0.064  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.444  -0.085  -0.378  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.939  -1.431  -0.376  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.587  -2.332   0.654  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.078  -3.648   0.628  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.916  -4.073  -0.400  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.269  -3.189  -1.412  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.266  -1.899   1.817  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.784  -1.880  -1.398  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.716  -1.652   1.420  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.894  -0.457  -1.273  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.246  -0.434  -0.056  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.432   0.382   0.516  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.420  -1.010  -2.265  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.241   0.305  -1.350  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.933   0.577  -0.016  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.194   2.517  -1.686  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.117   1.512  -2.197  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.776   1.203  -3.112  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.302   1.018  -0.852  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.681   1.112  -0.207  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -2.825   1.249   1.210  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.134   1.216   1.746  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -4.315   1.313   3.119  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -3.244   1.471   3.998  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -1.957   1.547   3.492  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -5.231   1.109   0.989  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1       -5.073   1.077  -0.348  0.00  0.00    +0.115 A 
ATOM     31  C   LIG    1       -1.752   1.442   2.116  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -3.848   1.105  -1.002  0.00  0.00    -0.027 A 
ATOM     33  C   LIG    1       -3.848   1.124  -2.503  0.00  0.00    +0.045 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5