REMARK  Name = BDB021905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.461  -0.181   0.442  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.753   0.370   0.052  0.00  0.00    +0.303 C 
ATOM      3  N   LIG    1       -1.849  -0.125   0.703  0.00  0.00    -0.286 N 
ATOM      4  H   LIG    1       -1.688  -0.305   1.687  0.00  0.00    +0.151 HD
ATOM      5  O   LIG    1       -0.854   1.240  -0.808  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1        0.582  -1.357   1.302  0.00  0.00    +0.134 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.172   0.418   0.420  0.00  0.00    +0.180 C 
ATOM      8  C   LIG    1       -3.927  -0.266  -0.731  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -3.502   0.192  -2.123  0.00  0.00    +0.028 C 
ATOM     10  N   LIG    1       -5.360  -0.070  -0.389  0.00  0.00    -0.218 NA
ATOM     11  C   LIG    1       -5.899   1.218  -0.855  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1       -5.374  -0.113   1.041  0.00  0.00    -0.201 N 
ATOM     13  C   LIG    1       -4.103   0.128   1.589  0.00  0.00    +0.256 C 
ATOM     14  O   LIG    1       -3.728   0.116   2.756  0.00  0.00    -0.272 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -6.520  -0.585   1.745  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -7.639  -1.067   1.044  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1       -8.775  -1.532   1.715  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -8.813  -1.524   3.105  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -7.717  -1.051   3.820  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -6.582  -0.587   3.145  0.00  0.00    +0.025 A 
ENDBRANCH  12  15
ENDBRANCH   3   7
BRANCH   1  23
ATOM     21  C   LIG    1        2.151  -1.536  -1.744  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1        1.980  -0.022  -1.576  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        1.690   0.421  -0.121  0.00  0.00    +0.082 C 
ATOM     24  C   LIG    1        2.938   0.278   0.763  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        4.134   0.998   0.137  0.00  0.00    +0.086 C 
ATOM     26  N   LIG    1        4.396   0.513  -1.227  0.00  0.00    -0.298 NA
ATOM     27  C   LIG    1        3.222   0.730  -2.089  0.00  0.00    +0.089 C 
BRANCH  26  28
ATOM     28  C   LIG    1        5.578   1.175  -1.813  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.881   0.775  -1.153  0.00  0.00    -0.033 A 
ATOM     30  C   LIG    1        7.731   1.746  -0.603  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        8.938   1.374  -0.008  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.311   0.032   0.038  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.477  -0.942  -0.508  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.269  -0.572  -1.103  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  23
TORSDOF 5