REMARK  Name = BDB004029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.637  -0.909   0.384  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.659  -0.566   0.350  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1       -1.579  -1.384   0.909  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.209  -2.582   1.502  0.00  0.00    +0.118 A 
ATOM      5 CL   LIG    1       -2.365  -3.641   2.219  0.00  0.00    -0.077 Cl
ATOM      6  C   LIG    1        0.141  -2.845   1.475  0.00  0.00    +0.154 A 
ATOM      7 CL   LIG    1        0.833  -4.272   2.152  0.00  0.00    -0.060 Cl
ATOM      8  N   LIG    1        1.072  -2.040   0.932  0.00  0.00    -0.201 NA
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        1.499   0.007  -0.209  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.962   0.800  -0.530  0.00  0.00    +0.155 HD
BRANCH   9  14
ATOM     11  C   LIG    1        5.677   0.346  -0.720  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        4.812   1.313  -1.237  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.432   1.176  -1.048  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        2.890   0.090  -0.337  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        3.780  -0.860   0.177  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.163  -0.732  -0.000  0.00  0.00    +0.017 A 
BRANCH  11  18
ATOM     17  O   LIG    1        7.941   0.222  -0.005  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        7.142   0.453  -0.895  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        7.493   0.794  -2.153  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        6.760   0.771  -2.796  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  N   LIG    1       -2.951  -1.028   0.858  0.00  0.00    -0.297 N 
ATOM     22  H   LIG    1       -3.401  -1.241   1.758  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.566   0.072   0.208  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -4.708   0.710   0.751  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1       -5.321   1.775   0.066  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -4.821   2.208  -1.161  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.713   1.577  -1.715  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.098   0.519  -1.040  0.00  0.00    +0.024 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -5.252   0.265   2.062  0.00  0.00    +0.339 C 
ATOM     30  O   LIG    1       -4.769  -0.607   2.766  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -6.366   0.920   2.435  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -6.606   0.523   3.299  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 8