REMARK  Name = BDB019569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.415  -0.589  -1.516  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.382  -0.062  -0.263  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -1.560   0.054   0.391  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.775  -0.311  -0.194  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -2.793  -0.872  -1.480  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.577  -1.003  -2.155  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.471   0.632   1.740  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -1.927  -0.025   2.902  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1       -2.604  -1.619   2.855  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -1.817   0.577   4.160  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -1.243   1.835   4.269  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -1.135   2.407   5.475  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.771   2.505   3.151  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -0.881   1.906   1.894  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        1.978  -0.257  -1.488  0.00  0.00    -0.304 N 
ATOM     16  H   LIG    1        1.803  -0.026  -0.512  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        0.904  -0.708  -2.217  0.00  0.00    +0.263 C 
ATOM     18  O   LIG    1        0.988  -1.174  -3.347  0.00  0.00    -0.269 OA
BRANCH  15  19
ATOM     19  C   LIG    1        3.343  -0.479  -1.900  0.00  0.00    +0.160 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.947   0.877   2.003  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1        5.490   1.180   0.607  0.00  0.00    +0.039 A 
ATOM     22  N   LIG    1        4.689   0.270   0.005  0.00  0.00    -0.255 NA
ATOM     23  C   LIG    1        4.272   0.525  -1.263  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        4.617   1.691  -1.942  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        5.438   2.616  -1.308  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.884   2.360  -0.016  0.00  0.00    +0.023 A 
ENDBRANCH  19  23
ENDBRANCH  15  19
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -4.078  -1.276  -2.159  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.959  -2.040  -1.290  0.00  0.00    -0.332 N 
ATOM     29  C   LIG    1       -6.202  -1.651  -0.877  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1       -6.751  -2.554  -0.097  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1       -5.835  -3.571  -0.018  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1       -4.716  -3.279  -0.764  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6