REMARK  Name = BDB013957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.629   0.043   0.303  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.112   0.789  -0.803  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.455   1.741  -1.360  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.406   0.395  -1.139  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.076  -0.792  -0.662  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.951  -1.339   0.633  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.686  -2.511   0.959  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.521  -3.145   0.046  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.643  -2.621  -1.224  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.164  -0.801   1.807  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.933  -1.467  -1.566  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -0.151   0.299   1.580  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.996  -0.049   1.051  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.979   0.597   0.391  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.151   1.442  -0.147  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.799  -1.087   1.683  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.372   0.668   1.011  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.800   1.062  -0.403  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.889  -1.281   0.976  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.397  -0.132   1.730  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.943  -0.493   2.575  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.099   1.262  -2.111  0.00  0.00    +0.157 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.315   1.884  -1.496  0.00  0.00    +0.027 A 
ATOM     24  S   LIG    1       -3.189   3.088  -0.275  0.00  0.00    -0.079 S 
ATOM     25  C   LIG    1       -4.899   3.190  -0.220  0.00  0.00    +0.156 A 
ATOM     26  N   LIG    1       -5.554   2.406  -1.047  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -4.650   1.659  -1.775  0.00  0.00    +0.123 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5