REMARK  Name = BDB004433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.928   0.054  -1.155  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -0.189  -0.362  -0.298  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.395  -1.800  -0.741  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.436  -2.082  -1.821  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.472  -3.317  -2.444  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.361  -4.316  -1.943  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.188  -4.064  -0.836  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.204  -2.806  -0.223  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.255  -0.903  -2.097  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        2.064  -0.856  -3.004  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.181  -0.236   1.190  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.437   0.710   2.030  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.074   0.829   3.375  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.923   0.012   3.899  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        1.377   0.168   5.551  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.562  -0.922   3.090  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.197  -1.042   1.747  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  19
ATOM     18  C   LIG    1        1.458   2.124  -2.458  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        1.482   1.410  -1.102  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.858   1.439  -0.446  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        3.996   0.916  -1.081  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.242   0.933  -0.448  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.364   1.475   0.828  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        6.896   1.489   1.610  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        4.251   2.003   1.475  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.007   1.988   0.840  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   2  27
ATOM     27  O   LIG    1       -1.260   0.518  -0.668  0.00  0.00    -0.348 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -2.592   0.041  -0.528  0.00  0.00    +0.163 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.532   1.226  -0.735  0.00  0.00    +0.030 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.013   0.844  -0.728  0.00  0.00    +0.030 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.514   0.236   0.578  0.00  0.00    +0.156 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.359   1.142   1.659  0.00  0.00    -0.395 OA
ATOM     33  H   LIG    1       -4.412   1.227   1.856  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 9