REMARK  Name = BDB004455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.427  -0.269  -0.013  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1       -2.269   0.469  -0.336  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.153  -0.193  -0.835  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.193   0.352  -1.246  0.00  0.00    +0.189 C 
ATOM      5  N   LIG    1        0.877  -0.839  -1.714  0.00  0.00    -0.257 N 
ATOM      6  C   LIG    1        0.111  -1.981  -1.585  0.00  0.00    +0.250 C 
ATOM      7  O   LIG    1        0.401  -3.123  -1.883  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.180  -1.569  -1.026  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -2.285  -2.337  -0.732  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.406  -1.676  -0.222  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.912   1.083  -0.118  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.312   2.425  -0.254  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        1.985   3.084   0.779  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.267   2.411   1.964  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.106   3.219   3.229  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.875   1.086   2.130  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.200   0.428   1.098  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   1  19
ATOM     18  C   LIG    1       -4.570   1.931   0.727  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -4.696   0.400   0.554  0.00  0.00    -0.013 C 
ATOM     20  C   LIG    1       -5.017  -0.191   1.943  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -5.885   0.144  -0.396  0.00  0.00    +0.015 C 
ENDBRANCH   1  19
BRANCH   4  22
ATOM     22  O   LIG    1        0.006   1.180  -2.382  0.00  0.00    -0.364 OA
ATOM     23  H   LIG    1       -0.519   0.650  -3.003  0.00  0.00    +0.213 HD
ENDBRANCH   4  22
BRANCH   5  24
ATOM     24  C   LIG    1        2.204  -0.823  -2.303  0.00  0.00    +0.146 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.313  -0.913  -1.280  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.494  -2.087  -0.529  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.497  -2.164   0.440  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        5.331  -1.062   0.657  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1        5.173   0.111  -0.091  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1        4.167   0.178  -1.058  0.00  0.00    +0.007 A 
BRANCH  28  31
ATOM     31  N   LIG    1        6.381  -1.134   1.680  0.00  0.00    +0.056 N 
ATOM     32  O   LIG    1        7.182  -0.191   1.753  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1        6.407  -2.136   2.410  0.00  0.00    -0.126 OA
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6