REMARK  Name = BDB030621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.074  -1.179   1.234  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        0.764  -0.892   0.875  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.326  -0.111  -0.273  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1       -1.168  -0.089  -0.169  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -1.943   0.623   0.947  0.00  0.00    +0.053 C 
ATOM      6  C   LIG    1       -1.196   1.617   1.823  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.567  -0.861   1.046  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1       -0.326  -1.367   1.707  0.00  0.00    +0.113 C 
ATOM      9  O   LIG    1        2.315  -1.840   2.246  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        5.194  -0.261  -0.366  0.00  0.00    -0.334 N 
ATOM     11  C   LIG    1        4.519  -0.869   0.654  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.172  -0.683   0.386  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        3.042   0.030  -0.796  0.00  0.00    -0.231 NA
ATOM     14  C   LIG    1        4.264   0.266  -1.215  0.00  0.00    +0.200 A 
BRANCH  10  16
ATOM     15  C   LIG    1        7.149   1.247  -0.462  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        6.643  -0.195  -0.508  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1        7.119  -0.913  -1.770  0.00  0.00    +0.030 C 
ENDBRANCH  10  16
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1       -3.403   0.983   0.697  0.00  0.00    +0.220 C 
ATOM     19  N   LIG    1       -4.131   0.118  -0.092  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.661  -0.695  -0.459  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -3.865   2.001   1.195  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.547   0.292  -0.446  0.00  0.00    +0.026 C 
ATOM     23  C   LIG    1       -6.434   0.287   0.809  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -5.760   1.590  -1.241  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -5.963  -0.894  -1.337  0.00  0.00    +0.031 C 
ENDBRANCH  19  22
ENDBRANCH   5  18
TORSDOF 4