REMARK  Name = BDB053047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.347  -0.231   1.176  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.694   0.465   0.424  0.00  0.00    +0.193 C 
ATOM      3  C   LIG    1       -0.899   1.721   1.243  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -0.028   1.715   2.332  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.021   2.742   3.256  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.844   3.821   3.063  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.724   3.847   1.964  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.755   2.795   1.043  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.755   0.475   2.292  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.584   0.162   3.124  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.251   0.821  -1.007  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.038   0.478  -2.124  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.629   0.800  -3.422  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.572   1.474  -3.624  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        1.081   1.855  -5.222  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.363   1.838  -2.540  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.952   1.520  -1.242  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.866  -1.537   0.813  0.00  0.00    +0.146 C 
BRANCH  18  23
ATOM     19  C   LIG    1        5.421  -1.270  -2.812  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.247  -1.326  -1.882  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        3.012  -1.809  -2.329  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        1.923  -1.885  -1.457  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        2.049  -1.482  -0.120  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.293  -1.020   0.329  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.383  -0.947  -0.542  0.00  0.00    +0.003 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
BRANCH   2  26
ATOM     26  O   LIG    1       -1.861  -0.358   0.360  0.00  0.00    -0.340 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.493  -0.738   1.574  0.00  0.00    +0.147 C 
ATOM     28  C   LIG    1       -2.896  -2.221   1.487  0.00  0.00    +0.071 C 
ATOM     29  C   LIG    1       -4.388  -2.248   1.144  0.00  0.00    +0.140 C 
ATOM     30  C   LIG    1       -4.840  -0.865   1.444  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -3.812  -0.044   1.683  0.00  0.00    +0.003 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -4.617  -2.503  -0.229  0.00  0.00    -0.388 OA
ATOM     33  H   LIG    1       -4.196  -3.353  -0.440  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 6