REMARK  Name = BDB019642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.471   1.135   0.013  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1        0.674   0.677  -0.544  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.814  -0.674  -0.650  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.131  -1.593  -0.215  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.301  -1.109   0.372  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.462   0.279   0.489  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.597   2.716  -1.430  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -1.569   3.351  -0.534  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -0.577   2.595   0.115  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        0.362   3.304   0.883  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        0.276   4.687   1.002  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -0.751   5.332   0.346  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -0.849   6.663   0.461  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -1.670   4.702  -0.412  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        2.092  -1.152  -1.271  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        2.912  -0.139  -1.718  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        2.606   0.807  -1.507  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.362  -2.344  -1.347  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.250  -0.371  -2.196  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.250  -0.195  -1.081  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.832   1.057  -0.833  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        6.734   1.226   0.223  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        7.405   2.801   0.460  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        7.058   0.141   1.045  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        8.161   0.277   2.369  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        6.474  -1.106   0.809  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.573  -1.272  -0.244  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.369  -2.050   0.871  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.591  -1.824   0.126  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -3.432  -1.831  -0.879  0.00  0.00    +0.149 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -4.719  -2.518   0.388  0.00  0.00    +0.176 C 
ATOM     32  N   LIG    1       -5.062  -2.709   1.687  0.00  0.00    -0.316 N 
ATOM     33  H   LIG    1       -4.916  -1.891   2.265  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -6.421  -3.214   1.689  0.00  0.00    +0.127 C 
ATOM     35  C   LIG    1       -6.588  -3.659   0.232  0.00  0.00    +0.163 C 
ATOM     36  N   LIG    1       -5.507  -2.982  -0.537  0.00  0.00    -0.255 NA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7