REMARK  Name = BDB053373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.176  -0.783  -0.829  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -0.985   0.335  -1.030  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -1.431   0.612  -2.148  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.279   1.248   0.160  0.00  0.00    +0.096 C 
ATOM      5  C   LIG    1       -2.660   1.942   0.017  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -2.727   3.262   0.819  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -1.666   3.344   1.914  0.00  0.00    +0.081 C 
ATOM      8  N   LIG    1       -0.298   3.159   1.431  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1        0.129   4.067   1.242  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -0.190   2.322   0.233  0.00  0.00    +0.094 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.808   0.985   0.326  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -4.639   0.556  -0.640  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -5.755  -0.385  -0.346  0.00  0.00    +0.251 A 
ATOM     14  O   LIG    1       -6.495  -0.743  -1.258  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -5.869  -0.791   0.982  0.00  0.00    -0.318 N 
ATOM     16  C   LIG    1       -6.930  -1.711   1.356  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -5.005  -0.342   1.963  0.00  0.00    +0.089 A 
ATOM     18  C   LIG    1       -4.011   0.508   1.681  0.00  0.00    +0.022 A 
ENDBRANCH   5  11
ENDBRANCH   2   4
BRANCH   1  19
ATOM     19  C   LIG    1       -0.080  -1.749  -1.912  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -0.210  -3.237  -1.701  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -1.303  -2.488  -2.396  0.00  0.00    +0.024 C 
ENDBRANCH   1  19
BRANCH   1  22
ATOM     22  C   LIG    1        0.539  -1.106   0.419  0.00  0.00    +0.144 C 
BRANCH  22  25
ATOM     23  C   LIG    1        4.157  -0.913  -0.809  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        2.800  -0.644  -0.596  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.999  -1.475   0.218  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        2.604  -2.575   0.858  0.00  0.00    +0.064 A 
ATOM     27 CL   LIG    1        1.675  -3.589   1.920  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.967  -2.844   0.650  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        4.777  -4.181   1.395  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        4.733  -2.020  -0.179  0.00  0.00    +0.025 A 
BRANCH  23  31
ATOM     31  C   LIG    1        4.994  -0.011  -1.690  0.00  0.00    +0.063 C 
BRANCH  31  32
ATOM     32  C   LIG    1        5.820   0.995  -0.886  0.00  0.00    +0.164 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.710   1.218   0.508  0.00  0.00    +0.193 C 
ATOM     34  O   LIG    1        6.929   0.328  -0.279  0.00  0.00    -0.383 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  23  31
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 8