REMARK  Name = BDB049261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.057  -0.426  -0.379  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.854  -1.600  -0.471  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.217  -1.441  -0.396  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.738  -2.694  -0.540  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.767  -3.571  -0.661  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.843  -0.201  -0.217  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.105   0.874  -0.127  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.576  -2.880  -0.620  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.733   0.732  -0.202  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.256  -0.397  -0.504  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.517   0.515  -1.268  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.118   0.510  -1.232  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.424  -0.404  -0.425  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.166  -1.327   0.325  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.563  -1.323   0.288  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.770  -0.397  -0.547  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.248   0.034   1.814  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.465   0.451   0.433  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -6.197   1.874   0.262  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.218  -0.147  -0.140  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.721  -0.982   0.137  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.904   1.081   0.229  0.00  0.00    +0.142 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.391   0.964   0.235  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        7.229   0.979   1.332  0.00  0.00    +0.200 A 
ATOM     25  O   LIG    1        8.524   0.838   0.952  0.00  0.00    -0.471 OA
ATOM     26  C   LIG    1        8.531   0.735  -0.400  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1        7.249   0.805  -0.892  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6