REMARK  Name = BDB048157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.911   2.386  -3.269  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -2.645   1.732  -2.812  0.00  0.00    +0.128 A 
ATOM      3  N   LIG    1       -2.749   0.741  -1.902  0.00  0.00    -0.217 NA
ATOM      4  C   LIG    1       -1.619   0.122  -1.496  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -0.390   0.500  -2.018  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1       -0.383   1.498  -2.967  0.00  0.00    +0.129 A 
ATOM      7  N   LIG    1       -1.495   2.141  -3.373  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.882  -0.113  -1.638  0.00  0.00    +0.251 C 
ATOM      9  N   LIG    1        1.424   0.151  -0.373  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.810   1.030   0.624  0.00  0.00    +0.132 C 
ATOM     11  O   LIG    1        1.432  -0.825  -2.475  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.599  -0.655   0.027  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1        2.169  -2.065   0.521  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1        3.153  -2.754   1.372  0.00  0.00    -0.314 NA
ATOM     15  H   LIG    1        3.043  -3.762   1.255  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.516  -2.356   1.044  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1        4.739  -0.875   1.360  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        3.517   0.004   1.064  0.00  0.00    +0.025 C 
ENDBRANCH   9  12
ENDBRANCH   5   8
BRANCH   4  19
ATOM     19  N   LIG    1       -1.723  -0.971  -0.616  0.00  0.00    -0.321 N 
ATOM     20  H   LIG    1       -0.952  -0.977   0.046  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.987  -1.081   0.112  0.00  0.00    +0.177 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.126  -0.118   1.244  0.00  0.00    +0.122 A 
ATOM     23  O   LIG    1       -2.232  -0.248   2.269  0.00  0.00    -0.466 OA
ATOM     24  C   LIG    1       -2.527   0.720   3.175  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1       -3.589   1.478   2.742  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -3.976   0.940   1.492  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 5