REMARK  Name = BDB007819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.087  -0.474  -0.695  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.187   0.508  -0.558  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.054   0.195  -0.126  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -0.862   1.282   0.010  0.00  0.00    -0.454 OA
ATOM      5  C   LIG    1       -1.908   1.149   0.976  0.00  0.00    +0.210 C 
ATOM      6  C   LIG    1       -2.630  -0.235   0.967  0.00  0.00    +0.273 C 
ATOM      7  N   LIG    1       -1.826  -1.322   0.585  0.00  0.00    -0.232 N 
ATOM      8  O   LIG    1       -3.804  -0.358   1.329  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.273   1.353   2.371  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1       -0.487  -1.096   0.152  0.00  0.00    +0.103 A 
ATOM     11  C   LIG    1        0.479  -2.101   0.042  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        1.771  -1.792  -0.392  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -2.374  -2.644   0.551  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -3.149  -3.121   1.619  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -3.701  -4.406   1.589  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -3.498  -5.222   0.480  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -4.175  -6.802   0.441  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -2.753  -4.761  -0.602  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -2.200  -3.476  -0.569  0.00  0.00    +0.025 A 
ENDBRANCH   7  13
BRANCH   5  20
ATOM     20  C   LIG    1       -2.919   2.286   0.687  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.900   2.990  -0.533  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.814   4.015  -0.795  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.774   4.354   0.153  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.824   3.667   1.361  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.909   2.643   1.625  0.00  0.00    +0.008 A 
ENDBRANCH   5  20
BRANCH   1  27
ATOM     26  C   LIG    1        3.882   1.034  -1.494  0.00  0.00    +0.235 C 
ATOM     27  N   LIG    1        3.389  -0.210  -1.134  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.014  -0.997  -1.210  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        3.269   2.098  -1.483  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1        5.370   1.002  -1.915  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1        5.594   0.073  -3.107  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1        6.340   1.627   0.221  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        6.239   0.578  -0.792  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1        5.879  -0.265  -0.354  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH   1  27
TORSDOF 5