REMARK  Name = BDB032194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.229  -0.915   0.976  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.047  -1.523   0.934  0.00  0.00    +0.060 A 
ATOM      3 CL   LIG    1       -1.215  -3.232   1.120  0.00  0.00    -0.082 Cl
ATOM      4  C   LIG    1       -2.157  -0.711   0.752  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -3.591  -1.042   0.665  0.00  0.00    +0.249 C 
ATOM      6  N   LIG    1       -4.283   0.159   0.571  0.00  0.00    -0.282 N 
ATOM      7  C   LIG    1       -3.388   1.288   0.403  0.00  0.00    +0.144 C 
ATOM      8  O   LIG    1       -4.069  -2.159   0.656  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.046   0.673   0.607  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -0.810   1.290   0.640  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.323   0.492   0.827  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -5.701   0.263   0.238  0.00  0.00    +0.163 C 
ATOM     13  C   LIG    1       -5.947  -0.045  -1.247  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -5.131   0.205  -2.134  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.201  -0.512  -1.567  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -7.371  -0.681  -2.549  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -8.284  -0.654  -0.737  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -9.393  -0.931  -1.185  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -8.060  -0.358   0.728  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -6.610  -0.590   1.123  0.00  0.00    +0.041 C 
ENDBRANCH   6  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.472  -1.765   1.167  0.00  0.00    +0.270 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.675  -0.989   1.310  0.00  0.00    -0.445 OA
BRANCH  22  25
ATOM     23  N   LIG    1        4.565  -0.163   0.543  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        4.579   0.120   1.513  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        3.458  -0.890   0.204  0.00  0.00    +0.405 C 
ATOM     26  O   LIG    1        3.180  -1.370  -0.881  0.00  0.00    -0.226 OA
BRANCH  23  32
ATOM     27  C   LIG    1        9.069   1.466  -2.612  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        7.891   1.042  -1.782  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        7.780   1.369  -0.424  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        8.999   2.289   0.385  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        6.670   0.958   0.323  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        5.648   0.212  -0.272  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        5.753  -0.117  -1.623  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        6.863   0.294  -2.370  0.00  0.00    +0.006 A 
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5