REMARK  Name = BDB028774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.665   2.650   0.637  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -1.015   1.401   0.361  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -1.663   0.173   0.184  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.690  -0.792  -0.095  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.028  -2.107  -0.336  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -2.387  -2.440  -0.284  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.365  -1.466   0.001  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        0.559  -0.155  -0.075  0.00  0.00    -0.271 N 
ATOM      9  C   LIG    1       -3.006  -0.136   0.239  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.368   1.219   0.183  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        1.243   2.069   0.238  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        1.827  -0.744  -0.402  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1        2.883  -0.429   0.653  0.00  0.00    +0.254 C 
ATOM     14  O   LIG    1        2.784  -0.659   1.853  0.00  0.00    -0.272 OA
ATOM     15  N   LIG    1        3.984   0.148   0.093  0.00  0.00    -0.245 N 
ATOM     16  H   LIG    1        4.748   0.468   0.666  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        3.968   0.414  -1.233  0.00  0.00    +0.281 C 
ATOM     18  O   LIG    1        4.864   0.966  -1.851  0.00  0.00    -0.262 OA
ATOM     19  S   LIG    1        2.504  -0.175  -1.978  0.00  0.00    -0.032 S 
ENDBRANCH   8  12
TORSDOF 1