REMARK  Name = BDB030291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.551  -0.712  -0.090  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.622  -1.301   0.594  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        2.883  -0.707   0.547  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        3.950  -1.309   1.248  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        3.796  -2.162   1.769  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.244  -0.823   1.282  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.484   0.404   0.531  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.457   1.015  -0.165  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        4.971   2.428  -0.963  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        6.574   2.242  -0.392  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.713   1.120   0.396  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        6.123  -1.401   1.915  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.095   0.479  -0.188  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.024   1.051  -0.883  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.758   0.456  -0.839  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -1.863  -0.528  -0.063  0.00  0.00    -0.279 N 
ATOM     17  H   LIG    1       -1.702   0.473  -0.036  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -0.780  -1.379  -0.021  0.00  0.00    +0.248 C 
ATOM     19  O   LIG    1       -0.807  -2.599   0.097  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -4.152   0.217  -0.030  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1       -3.237  -0.860  -0.051  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1       -3.716  -2.171  -0.066  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.090  -2.417  -0.056  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.992  -1.357  -0.033  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.526  -0.041  -0.021  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.475   2.580   0.031  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -3.584   1.472  -0.024  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
ENDBRANCH  16  21
ENDBRANCH   1  18
TORSDOF 3