REMARK  Name = BDB018578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.361  -5.949  -0.149  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.408  -4.868   0.053  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.054  -5.162   0.133  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        0.432  -6.286   0.055  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.846  -3.999   0.326  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.363  -2.749   0.447  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.090  -2.513   0.389  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.892  -3.578   0.186  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.373  -1.682   0.583  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.613  -0.781  -0.449  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1        2.511   0.230  -0.383  0.00  0.00    -0.259 NA
ATOM     12  C   LIG    1        3.222   0.365   0.763  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        3.045  -0.489   1.849  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        2.113  -1.522   1.756  0.00  0.00    +0.012 A 
BRANCH  12  15
ATOM     15  C   LIG    1        4.205   1.513   0.850  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        3.480   2.867   0.968  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        4.175   3.789  -0.026  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1        4.603   2.853  -1.142  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        5.110   1.631  -0.390  0.00  0.00    +0.010 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -1.645  -1.201   0.547  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.547  -0.588  -0.295  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.787   0.676   0.202  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -2.157   0.840   1.400  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -1.439  -0.269   1.573  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.592   1.743  -0.318  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1       -4.073   1.813  -1.643  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1       -4.888   2.905  -2.015  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -5.539   3.070  -3.615  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -5.206   3.917  -1.106  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1       -4.708   3.865   0.188  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.907   2.793   0.576  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -3.722   0.868  -2.663  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -3.439   0.097  -3.484  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5