REMARK  Name = BDB006629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.376   0.366  -1.216  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.143   0.080  -0.716  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1        0.542  -0.517   0.426  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -0.867  -0.465   0.170  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -1.157   0.271  -1.102  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        1.111  -0.923   1.425  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.207   0.589  -1.566  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        0.920   1.278  -2.544  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.411   2.062  -3.693  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        2.240   1.210  -2.297  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.860  -1.028   0.978  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -1.610  -1.626   2.160  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -2.603  -2.176   2.958  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -2.210  -2.784   4.223  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -3.953  -2.152   2.606  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -4.852  -2.620   3.301  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -4.244  -1.508   1.288  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -5.878  -1.453   0.745  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.252  -0.995   0.546  0.00  0.00    +0.050 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -1.859   1.606  -0.931  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -2.796   2.018  -1.898  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.459   3.242  -1.776  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.193   4.069  -0.687  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -4.009   5.576  -0.539  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -2.269   3.683   0.279  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.605   2.460   0.159  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  28
ATOM     27  C   LIG    1        3.912  -1.259  -0.187  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1        3.664  -0.037  -0.803  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        4.754   0.806  -1.059  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        6.026   0.434  -0.637  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.169  -0.782   0.006  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1        5.148  -1.638   0.226  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1        3.193  -3.293   0.715  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        2.916  -2.212  -0.170  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4