REMARK  Name = BDB023038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.133  -1.976   1.599  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.831  -1.367   2.637  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.056  -1.029   1.795  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.009  -2.157   0.774  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.619  -2.161   0.366  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.133   2.339   0.263  0.00  0.00    -0.167 NA
ATOM      7  C   LIG    1        3.004   1.738   0.027  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        2.656   0.549   0.785  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        3.312  -0.208   1.782  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.464  -1.244   2.128  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.305  -1.138   1.377  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        1.446  -0.060   0.558  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        0.586   0.413  -0.358  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -0.202  -0.135  -0.691  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        0.999   1.508  -1.084  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        2.105   2.173  -0.946  0.00  0.00    -0.216 NA
BRANCH   6  18
ATOM     17  C   LIG    1        5.737   3.715  -0.860  0.00  0.00    +0.148 C 
ATOM     18  N   LIG    1        4.360   3.464  -0.474  0.00  0.00    -0.270 N 
ATOM     19  H   LIG    1        3.732   3.508  -1.285  0.00  0.00    +0.168 HD
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -1.176  -2.340   3.638  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -2.131  -2.232   3.822  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -3.245  -1.014   2.574  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -3.223  -0.211   3.128  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -3.022  -2.052  -0.381  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.791  -0.917  -1.359  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -1.895  -1.056  -2.434  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -1.713  -0.018  -3.350  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -2.420   1.171  -3.194  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -2.190   2.454  -4.315  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -3.302   1.332  -2.128  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -3.489   0.291  -1.216  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -3.046  -3.295  -1.097  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.557  -3.151  -1.912  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7