REMARK  Name = BDB030288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.395  -0.395   1.219  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        1.788   0.480   0.198  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        3.116   0.477  -0.235  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        3.500   1.361  -1.265  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        2.826   1.991  -1.678  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.779   1.458  -1.784  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.774   0.567  -1.201  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        5.426  -0.308  -0.188  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        6.746  -1.247   0.333  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        7.802  -0.496  -0.785  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        7.156   0.455  -1.545  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        5.036   2.253  -2.684  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        4.066  -0.391   0.348  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.666  -1.246   1.378  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.338  -1.243   1.815  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -0.973  -0.235   0.757  0.00  0.00    -0.279 N 
ATOM     17  H   LIG    1       -0.691  -0.195  -0.217  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -0.007  -0.428   1.722  0.00  0.00    +0.248 C 
ATOM     19  O   LIG    1       -0.189  -0.646   2.913  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1       -5.176  -0.029   1.091  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -4.549   0.034  -0.156  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1       -3.152  -0.038  -0.245  0.00  0.00    +0.145 A 
ATOM     23  C   LIG    1       -2.374  -0.174   0.925  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1       -3.007  -0.232   2.166  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -4.400  -0.161   2.243  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -7.372   0.152   0.185  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -6.523   0.029   1.319  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
BRANCH  22  28
ATOM     28  O   LIG    1       -2.433   0.018  -1.420  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.175   0.092  -2.632  0.00  0.00    +0.277 C 
ENDBRANCH  22  28
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 4