REMARK  Name = BDB012779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.516   1.766   0.294  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.373   1.057  -0.028  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.935   1.671   0.143  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.929   0.649  -0.413  0.00  0.00    +0.093 C 
ATOM      5  C   LIG    1        1.222  -0.677  -0.130  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.241  -0.344  -0.395  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.423   2.888   0.793  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.712   0.133  -0.478  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.078   1.105   0.365  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.929   1.738   0.645  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.950   2.552   1.253  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.817   1.186   0.061  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.313   0.150  -0.705  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.426  -1.637   0.008  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.724  -0.807  -1.069  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.748  -0.070  -1.934  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.248   0.731   0.185  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1        3.291   0.782   1.194  0.00  0.00    +0.151 HD
ATOM     19  C   LIG    1        4.297   0.046  -0.384  0.00  0.00    +0.300 C 
ATOM     20  N   LIG    1        5.441   0.177   0.371  0.00  0.00    -0.297 N 
ATOM     21  H   LIG    1        5.500   1.036   0.902  0.00  0.00    +0.151 HD
ATOM     22  O   LIG    1        4.212  -0.595  -1.422  0.00  0.00    -0.253 OA
BRANCH  20  23
ATOM     23  C   LIG    1        6.679  -0.406  -0.048  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        7.144  -1.707   0.545  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        7.861  -0.433   0.882  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH   4  17
TORSDOF 4