REMARK  Name = BDB032199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.085   0.722  -1.620  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.355   0.830  -2.806  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.920   1.400  -2.812  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.488   1.878  -1.624  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1        0.758   1.755  -0.434  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.519   1.181  -0.432  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.311   0.135  -1.762  0.00  0.00    -0.489 OA
BRANCH   7  12
ATOM      8  C   LIG    1       -5.872  -2.379   1.281  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1       -5.289  -1.936   0.018  0.00  0.00    -0.305 NA
ATOM     10  C   LIG    1       -3.858  -2.251  -0.079  0.00  0.00    +0.087 C 
ATOM     11  C   LIG    1       -2.949  -1.073   0.267  0.00  0.00    +0.060 C 
ATOM     12  C   LIG    1       -3.215   0.131  -0.649  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1       -4.634   0.096  -1.235  0.00  0.00    +0.060 C 
ATOM     14  C   LIG    1       -5.608  -0.526  -0.244  0.00  0.00    +0.087 C 
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        2.877   2.472  -1.623  0.00  0.00    +0.137 C 
BRANCH  15  16
ATOM     16  N   LIG    1        3.882   1.431  -1.427  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1        3.709   0.642  -2.048  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.211   0.998  -0.136  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        4.681  -0.312   0.035  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        5.066  -0.744   1.319  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        4.985   0.185   2.349  0.00  0.00    +0.140 A 
ATOM     22  N   LIG    1        5.399  -0.421   3.503  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        5.437   0.049   4.397  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        5.748  -1.721   3.245  0.00  0.00    +0.105 A 
ATOM     25  N   LIG    1        4.589   1.465   2.265  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        5.553  -1.945   1.899  0.00  0.00    +0.068 A 
ATOM     27 CL   LIG    1        5.839  -3.400   1.069  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        4.236   1.818   0.999  0.00  0.00    +0.136 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 5