REMARK  Name = BDB039374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332   0.546  -1.025  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.400   0.760  -0.124  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.663   0.278  -0.429  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.928   0.361   0.356  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.897  -0.261  -0.539  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.294  -0.797  -1.668  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.809  -1.459  -2.549  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.880  -0.413  -1.615  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.877  -0.648  -2.532  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.601  -0.159  -2.229  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -5.894   2.732   0.338  0.00  0.00    +0.149 C 
ATOM     12  N   LIG    1       -4.465   2.926   0.438  0.00  0.00    -0.348 N 
ATOM     13  C   LIG    1       -3.474   2.098  -0.061  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1       -2.263   2.712   0.282  0.00  0.00    +0.090 A 
ATOM     15  N   LIG    1       -1.042   2.220  -0.023  0.00  0.00    -0.245 NA
ATOM     16  C   LIG    1       -1.021   1.061  -0.708  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -2.182   0.385  -1.081  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.545   3.904   0.985  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -3.468   0.879  -0.771  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1       -3.911   4.015   1.069  0.00  0.00    +0.088 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.666   0.069  -1.219  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.682  -1.280  -0.648  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -4.905  -1.301   0.799  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.258  -2.756   1.070  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -5.812  -3.285  -0.248  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.753  -2.105  -1.206  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1        6.245  -0.635  -0.131  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1        6.247  -1.780   0.896  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1        5.267  -2.467   1.177  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1        7.454  -2.008   1.518  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1        7.443  -2.752   2.203  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1        8.457  -1.088   1.688  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1        9.319  -1.242   2.547  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1        8.450   0.099   0.753  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1        7.029   0.543   0.439  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4