REMARK  Name = BDB007823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.723  -0.137   0.085  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.708  -0.812   0.655  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -0.541  -0.319   0.501  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -1.504  -1.108   1.064  0.00  0.00    -0.459 OA
ATOM      5  C   LIG    1       -2.766  -1.030   0.399  0.00  0.00    +0.188 C 
ATOM      6  C   LIG    1       -2.724  -1.792  -0.950  0.00  0.00    +0.058 C 
ATOM      7  C   LIG    1       -2.417  -3.280  -0.772  0.00  0.00    +0.004 C 
ATOM      8  C   LIG    1       -3.402  -3.948   0.182  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -3.474  -3.220   1.520  0.00  0.00    +0.004 C 
ATOM     10  C   LIG    1       -3.235   0.423   0.145  0.00  0.00    +0.268 C 
ATOM     11  N   LIG    1       -2.209   1.302  -0.240  0.00  0.00    -0.232 N 
ATOM     12  O   LIG    1       -4.424   0.736   0.231  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.781  -1.733   1.332  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -0.852   0.865  -0.165  0.00  0.00    +0.103 A 
ATOM     15  C   LIG    1        0.219   1.519  -0.778  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.519   1.021  -0.645  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.515   2.659  -0.578  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -1.775   3.734  -0.055  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -2.097   5.056  -0.381  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -3.173   5.319  -1.224  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -3.569   6.944  -1.625  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -3.934   4.273  -1.735  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -3.610   2.952  -1.407  0.00  0.00    +0.025 A 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        4.200  -0.326  -0.154  0.00  0.00    +0.235 C 
ATOM     25  N   LIG    1        2.966  -0.728   0.306  0.00  0.00    -0.269 N 
ATOM     26  H   LIG    1        2.886  -1.572   0.858  0.00  0.00    +0.156 HD
ATOM     27  O   LIG    1        4.393   0.628  -0.906  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1        5.362  -1.251   0.311  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1        5.410  -1.424   1.830  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1        7.246   0.347   0.405  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        6.654  -0.805  -0.267  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1        6.467  -0.530  -1.237  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH   1  25
TORSDOF 4