REMARK  Name = BDB018513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.031  -1.222   0.383  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1       -0.628  -1.609   0.645  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.361  -2.907   0.895  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.342  -3.881   0.937  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.950  -5.250   1.234  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.683  -3.586   0.739  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.602  -4.397   0.792  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.990  -2.167   0.437  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1       -3.703   4.092  -0.953  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1       -3.273   2.740  -0.635  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.541   2.019  -1.574  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1       -2.220   2.430  -2.686  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.137   0.646  -1.169  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -2.464   0.142   0.035  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1       -3.240   0.973   0.943  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.610   2.211   0.596  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        0.432  -0.643   0.646  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.603  -0.719  -0.073  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.352   0.401   0.226  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.657   1.225   1.065  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.524   0.576   1.333  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.642   0.795  -0.241  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        4.590  -0.074  -0.804  0.00  0.00    +0.066 A 
ATOM     24 CL   LIG    1        4.461  -1.797  -0.870  0.00  0.00    -0.081 Cl
ATOM     25  C   LIG    1        5.812   0.439  -1.274  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        6.110   1.797  -1.176  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.193   2.659  -0.590  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.974   2.163  -0.122  0.00  0.00    +0.029 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 3