REMARK  Name = BDB014936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.860  -5.211   0.764  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.451  -4.676   0.767  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.289  -3.299   0.693  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.901  -2.812   0.791  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.802  -1.383   0.387  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.671  -0.540   0.273  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.046   0.692  -0.073  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.385   0.648  -0.241  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -2.885  -0.587   0.073  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.288  -1.075   0.085  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.370  -2.332   0.975  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.496  -5.451   0.825  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.095   1.893  -0.580  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -4.088   1.710  -1.736  0.00  0.00    +0.189 C 
ATOM     15  O   LIG    1       -3.387   1.941  -2.972  0.00  0.00    -0.377 OA
ATOM     16  C   LIG    1       -2.095   2.476  -2.658  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.177   2.946  -1.222  0.00  0.00    +0.060 C 
ATOM     18  C   LIG    1       -3.754   2.459   0.684  0.00  0.00    +0.039 C 
ENDBRANCH   8  13
BRANCH   6  19
ATOM     19  N   LIG    1        0.586  -0.982   0.515  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1        0.717  -1.963   0.745  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.839  -0.328   0.473  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1        2.993  -1.072   0.767  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1        2.865  -2.374   1.076  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        4.270  -0.513   0.754  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.436   0.838   0.440  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        3.296   1.598   0.148  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        2.016   1.022   0.165  0.00  0.00    +0.027 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.752   1.454   0.422  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.939   0.797   0.168  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        7.924   1.741   0.234  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        9.338   1.537   0.034  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.466   2.974   0.512  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.147   2.798   0.624  0.00  0.00    +0.142 A 
ENDBRANCH  25  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4