REMARK  Name = BDB051613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.503  -1.472   1.743  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.016  -0.390   2.467  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.224   0.210   2.095  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.929  -0.265   0.982  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        1.407  -1.342   0.249  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        0.199  -1.937   0.625  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.160   0.326   0.576  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        3.832  -0.159  -0.503  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        4.921   0.611  -0.657  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        4.939   1.585   0.405  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        5.898   2.563   0.647  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        6.930   2.517  -0.311  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.971   1.577  -1.387  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        5.971   0.591  -1.600  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        3.821   1.383   1.164  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        6.020  -0.355  -2.725  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        5.028  -0.715  -3.342  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        7.263  -0.821  -3.066  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        7.269  -1.572  -3.746  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        8.039  -0.771  -2.422  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -1.822  -2.085   2.135  0.00  0.00    +0.139 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.610  -0.382   2.262  0.00  0.00    +0.218 C 
ATOM     23  N   LIG    1       -2.915  -1.339   1.565  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1       -3.073  -1.394   0.560  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -3.440  -0.152   3.457  0.00  0.00    -0.275 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -5.590  -1.884  -1.387  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -4.851  -0.837  -0.684  0.00  0.00    -0.305 NA
ATOM     28  C   LIG    1       -5.503  -0.474   0.583  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1       -4.581   0.436   1.417  0.00  0.00    +0.089 C 
ATOM     30  C   LIG    1       -3.805   1.450   0.557  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -4.481   1.655  -0.792  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1       -4.646   0.334  -1.554  0.00  0.00    +0.084 C 
ENDBRANCH  22  29
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5