REMARK  Name = BDB008441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.202   0.178  -0.595  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1       -0.607   1.406  -1.093  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.910   1.629  -0.631  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.587   2.796  -0.987  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.965   3.059  -0.543  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.708   2.221   0.260  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.629   2.615   0.437  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.521   1.041   0.907  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1       -3.478   0.277   0.884  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -3.503  -0.988   1.745  0.00  0.00    +0.064 C 
ATOM     11  C   LIG    1       -2.649  -2.153   1.175  0.00  0.00    -0.024 C 
ATOM     12  C   LIG    1       -1.198  -1.681   0.863  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -3.315  -2.721  -0.096  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1       -2.585  -3.280   2.223  0.00  0.00    +0.011 C 
ATOM     15  O   LIG    1       -4.502   4.107  -0.919  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.925   3.733  -1.803  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -0.625   3.508  -2.250  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -2.266   0.532   0.160  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        0.058   2.340  -1.904  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1       -1.217  -0.366   0.153  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  21
ATOM     21  C   LIG    1        1.108  -0.420  -0.827  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.129   0.035   0.226  0.00  0.00    +0.106 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.439  -0.638   0.096  0.00  0.00    -0.301 NA
BRANCH  23  25
ATOM     24  C   LIG    1        5.498  -0.890  -1.322  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        4.195  -0.138  -1.065  0.00  0.00    +0.081 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        4.191  -0.588   1.364  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1        4.646   0.792   1.829  0.00  0.00    +0.020 C 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5