REMARK  Name = BDB004494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.689   0.570  -0.924  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -0.540  -0.167  -0.656  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.877  -0.742  -2.015  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.100  -0.362  -2.935  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.062  -0.740  -4.263  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -1.008  -1.537  -4.673  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.002  -1.930  -3.757  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.943  -1.534  -2.417  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.089   0.472  -2.242  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        2.054   0.978  -2.782  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.343  -1.287   0.380  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.131  -1.359   1.545  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.935  -2.372   2.489  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.052  -3.331   2.282  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        0.301  -4.568   3.451  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.840  -3.292   1.137  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.641  -2.281   0.192  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  18
ATOM     18  C   LIG    1        1.383   1.363   0.075  0.00  0.00    +0.146 C 
BRANCH  18  23
ATOM     19  C   LIG    1        5.225  -1.773   3.134  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.259  -0.929   2.357  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        3.090  -0.455   2.961  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.170   0.299   2.229  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        2.392   0.577   0.874  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.563   0.097   0.271  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.484  -0.655   1.004  0.00  0.00    +0.003 A 
ENDBRANCH  18  23
ENDBRANCH   1  18
BRANCH   2  26
ATOM     26  O   LIG    1       -1.557   0.731  -0.195  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.915   1.810  -1.053  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.918   2.677  -0.321  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -2.892   4.170  -0.597  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -2.386   3.647   0.719  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -4.242   1.987  -0.072  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.187   2.871   0.522  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -5.993   2.352   0.682  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 8