REMARK  Name = BDB013958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.674   1.025   0.355  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.051  -0.064  -0.435  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.553  -1.113  -0.708  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.390   0.111  -0.805  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -2.261   1.242  -0.523  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.864   2.555  -0.185  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.858   3.537   0.105  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -4.218   3.271   0.044  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.622   2.007  -0.316  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.479   3.150  -0.117  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.664   1.026  -0.594  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.705   2.292  -0.471  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.057   0.424  -0.131  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.001   0.551   0.759  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.012  -0.218   1.429  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.123   1.000  -1.212  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.176  -0.499   0.422  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.052  -1.006  -0.721  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.482  -2.403   1.935  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        3.527  -1.592   1.195  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.011  -2.185   0.536  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.944  -1.044  -1.554  0.00  0.00    +0.176 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.640  -2.065  -0.679  0.00  0.00    +0.096 A 
ATOM     24  S   LIG    1       -1.829  -2.877   0.607  0.00  0.00    -0.079 S 
ATOM     25  C   LIG    1       -3.256  -3.752   0.957  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -4.250  -3.388   0.078  0.00  0.00    +0.119 A 
ATOM     27  N   LIG    1       -3.898  -2.433  -0.855  0.00  0.00    -0.251 NA
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5