REMARK  Name = BDB018385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.154  -1.137  -0.850  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.685  -1.515  -1.929  0.00  0.00    +0.146 A 
ATOM      3  N   LIG    1        1.950  -1.672  -1.549  0.00  0.00    -0.156 NA
ATOM      4  N   LIG    1        1.934  -1.373  -0.233  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.687  -1.073   0.239  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.141   0.358  -0.319  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.569  -0.896  -0.830  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.421  -1.837  -1.283  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -3.795  -1.672  -1.273  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.627  -2.757  -1.768  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.395  -0.524  -0.777  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -5.606  -0.326  -0.722  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.473   0.531  -0.289  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -1.199   1.282   0.082  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -1.894   2.442   2.095  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -1.597   2.545   0.609  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        0.286  -1.687  -3.201  0.00  0.00    -0.341 N 
ATOM     18  H   LIG    1       -0.498  -1.134  -3.529  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        1.046  -1.708  -3.873  0.00  0.00    +0.144 HD
ENDBRANCH   2  17
BRANCH   4  20
ATOM     20  C   LIG    1        3.162  -1.444   0.546  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.642  -0.076   0.964  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        3.639   0.301   2.315  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.086   1.568   2.697  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.539   2.469   1.735  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.547   2.105   0.390  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.102   0.840   0.006  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6