REMARK  Name = BDB013310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.601   1.496   0.063  0.00  0.00    +0.085 C 
ATOM      2  C   LIG    1        1.761   0.367  -0.948  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        2.850   0.130  -1.473  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1        0.613  -0.393  -1.179  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.610  -0.118  -0.390  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.920   1.415  -0.293  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.350   2.289  -0.303  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.856  -0.851  -0.896  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -2.346  -0.649  -2.199  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -3.503  -1.300  -2.634  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.182  -2.155  -1.770  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -5.611  -2.951  -2.303  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.713  -2.367  -0.476  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.557  -1.716  -0.040  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.822   1.728   0.900  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.357   1.676   2.224  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.220   1.948   3.288  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.631   1.878   4.904  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.554   2.269   3.055  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.030   2.320   1.747  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.172   2.051   0.679  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.837   2.406   0.073  0.00  0.00    +0.109 C 
BRANCH  22  25
ATOM     23  N   LIG    1        4.699   0.869   0.403  0.00  0.00    -0.254 N 
ATOM     24  H   LIG    1        4.410   0.455  -0.494  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.903   1.841   0.987  0.00  0.00    +0.227 C 
ATOM     26  O   LIG    1        4.018   2.199   2.157  0.00  0.00    -0.275 OA
BRANCH  23  27
ATOM     27  N   LIG    1        5.665   0.201   1.187  0.00  0.00    -0.254 NA
ATOM     28  H   LIG    1        6.356   0.907   1.472  0.00  0.00    +0.140 HD
ATOM     29  H   LIG    1        5.211  -0.057   2.074  0.00  0.00    +0.140 HD
ENDBRANCH  23  27
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   4  30
ATOM     30  C   LIG    1        0.827  -1.714  -1.782  0.00  0.00    +0.112 C 
BRANCH  30  31
ATOM     31  C   LIG    1        1.095  -2.755  -0.731  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1        2.474  -2.947  -0.149  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1        1.903  -3.977  -1.084  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH   4  30
TORSDOF 7