REMARK  Name = BDB018524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.312  -1.655   0.941  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.070  -1.938   0.516  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.606  -3.123   0.874  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.089  -4.076   1.597  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.581  -5.327   1.919  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.402  -3.885   2.002  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        2.080  -4.697   2.624  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.001  -2.576   1.640  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.288   1.988   0.241  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        3.724   0.899  -0.408  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        3.077  -0.261  -0.167  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        2.013  -0.384   0.701  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        1.654   0.794   1.322  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        2.273   1.976   1.115  0.00  0.00    -0.222 NA
BRANCH   9  15
ATOM     15  N   LIG    1        3.885   3.222   0.042  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1        3.600   3.792   0.832  0.00  0.00    +0.149 HD
BRANCH  15  18
ATOM     17  C   LIG    1        5.574   3.190  -1.730  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        5.310   3.209  -0.233  0.00  0.00    +0.101 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1       -0.838  -1.002  -0.253  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.124  -0.591   0.024  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.506   0.279  -0.974  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.476   0.501  -1.834  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.493  -0.295  -1.415  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.751   0.956  -1.175  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1       -4.976   0.549  -0.605  0.00  0.00    +0.095 A 
ATOM     26  C   LIG    1       -6.127   1.330  -0.839  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -7.673   0.918  -0.170  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -6.075   2.474  -1.639  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1       -4.878   2.853  -2.231  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.728   2.098  -2.006  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -5.128  -0.676   0.126  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -5.233  -1.674   0.710  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 6