REMARK  Name = BDB064039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.785   0.558  -0.836  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        1.110   0.369  -2.133  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        1.998   0.524  -2.574  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.009   0.031  -2.822  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.129  -0.196  -4.008  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.046   0.015  -1.754  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -2.318  -0.314  -2.008  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -0.467   0.361  -0.551  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.418  -0.378  -1.032  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.534   0.539   0.024  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.631   0.436   0.898  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.613  -0.543   0.740  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.634  -0.522   1.677  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -6.424   0.457   2.527  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.497  -1.447  -0.333  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -5.022   1.404   2.271  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.407  -1.352  -1.209  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        1.701   0.928   0.096  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        1.285   0.944   1.025  0.00  0.00    +0.149 HD
BRANCH  18  25
ATOM     20  O   LIG    1        6.615  -1.002   1.647  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1        5.587  -0.524   1.178  0.00  0.00    +0.213 C 
ATOM     22  N   LIG    1        4.656  -1.335   0.589  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1        4.867  -2.321   0.702  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.273  -0.951   0.397  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1        3.103   0.540   0.071  0.00  0.00    +0.090 C 
ATOM     26  C   LIG    1        3.871   1.349   1.120  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        5.346   0.969   1.108  0.00  0.00    +0.097 C 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 3