REMARK  Name = BDB011895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.676   0.069   0.428  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.005  -1.002  -0.093  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -1.188  -0.772  -0.933  0.00  0.00    +0.193 C 
ATOM      4  C   LIG    1       -1.409  -2.108  -1.591  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1       -0.453  -3.028  -1.141  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -0.443  -4.334  -1.602  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -1.412  -4.714  -2.532  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.369  -3.793  -2.987  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.372  -2.477  -2.518  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.472  -2.381  -0.162  0.00  0.00    +0.144 C 
ATOM     11  O   LIG    1        0.339   1.229   0.162  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.397  -0.361  -0.056  0.00  0.00    +0.242 C 
ATOM     13  N   LIG    1       -3.255   0.513  -0.710  0.00  0.00    -0.281 N 
ATOM     14  H   LIG    1       -2.969   0.861  -1.620  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -2.566  -0.808   1.078  0.00  0.00    -0.273 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -4.469   1.053  -0.233  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -5.137   1.955  -1.073  0.00  0.00    +0.144 A 
ATOM     18  F   LIG    1       -4.606   2.257  -2.269  0.00  0.00    -0.204 F 
ATOM     19  C   LIG    1       -6.342   2.545  -0.704  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -6.904   2.235   0.531  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -6.255   1.337   1.380  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.042   0.747   1.001  0.00  0.00    +0.026 A 
ENDBRANCH  13  16
ENDBRANCH   3  12
BRANCH   1  23
ATOM     23  C   LIG    1        1.853  -0.204   1.395  0.00  0.00    +0.162 C 
BRANCH  23  25
ATOM     24  C   LIG    1        3.821   0.508   0.096  0.00  0.00    +0.230 C 
ATOM     25  N   LIG    1        2.883   0.787   1.071  0.00  0.00    -0.302 N 
ATOM     26  H   LIG    1        2.568   1.748   1.129  0.00  0.00    +0.150 HD
ATOM     27  O   LIG    1        3.980  -0.629  -0.352  0.00  0.00    -0.274 OA
BRANCH  24  28
ATOM     28  C   LIG    1        4.727   1.699  -0.319  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1        3.917   2.912  -0.767  0.00  0.00    +0.034 C 
BRANCH  28  31
ATOM     30  C   LIG    1        6.929   1.818  -1.349  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1        5.586   1.267  -1.446  0.00  0.00    -0.309 NA
ATOM     32  H   LIG    1        5.639   0.242  -1.419  0.00  0.00    +0.122 HD
ENDBRANCH  28  31
ENDBRANCH  24  28
ENDBRANCH  23  25
BRANCH  23  33
ATOM     33  C   LIG    1        1.449  -0.108   2.886  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1        0.723   1.188   3.260  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        0.611  -1.311   3.326  0.00  0.00    +0.009 C 
ENDBRANCH  23  33
ENDBRANCH   1  23
TORSDOF 7