REMARK  Name = BDB013971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.734  -0.673  -0.260  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.782   0.458   0.190  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.206   1.370   0.911  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.538   0.430  -0.277  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.054  -0.648  -1.066  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.804  -1.988  -0.709  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.307  -3.029  -1.506  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.063  -2.751  -2.642  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.325  -1.431  -2.991  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.048  -2.327   0.547  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -1.825  -0.389  -2.208  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.434  -2.003   0.430  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.190  -0.750  -0.670  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.107  -0.261   0.021  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.252   0.630   0.500  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.117  -1.667  -1.483  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.528  -0.091  -0.280  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        6.051  -0.759   0.990  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.143   2.099  -1.269  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.348   1.362  -0.024  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.193   1.720   0.422  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.376   1.622  -0.045  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.723   1.326   0.600  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -2.819   0.831   1.938  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -4.093   0.506   2.454  0.00  0.00    +0.160 A 
ATOM     26  N   LIG    1       -4.258   0.024   3.686  0.00  0.00    -0.236 NA
ATOM     27  C   LIG    1       -3.182  -0.148   4.477  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1       -1.898   0.154   4.090  0.00  0.00    +0.020 A 
ATOM     29  N   LIG    1       -5.197   0.679   1.737  0.00  0.00    -0.232 NA
ATOM     30  C   LIG    1       -5.097   1.192   0.492  0.00  0.00    +0.159 A 
ATOM     31  C   LIG    1       -1.719   0.652   2.808  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -3.907   1.540  -0.123  0.00  0.00    +0.143 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -3.797   2.087  -1.371  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -4.995   2.250  -2.123  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6