REMARK  Name = BDB063890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.292   3.062  -2.800  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.020   2.262  -1.928  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.922   1.338  -1.188  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.237   1.288  -1.433  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.187   0.627  -0.264  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.032   1.053  -0.416  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.188   1.993  -1.374  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.027   2.482  -1.623  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.226   0.431  -0.758  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.524   0.938  -0.575  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -6.492   0.122   0.038  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.206  -1.178   0.458  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.260  -1.861   1.043  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -8.321  -1.088   1.066  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.907  -1.680   0.254  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -8.140   0.478   0.400  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.935  -0.875  -0.355  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.069   0.594   0.330  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        0.787  -0.184   0.923  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.476   0.599  -0.048  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        3.294   0.529   1.251  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        4.809   0.586   1.085  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.417  -0.318   0.014  0.00  0.00    +0.115 C 
ATOM     24  C   LIG    1        4.811  -1.719  -0.066  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        3.332  -1.811  -0.463  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        2.733  -0.538  -1.060  0.00  0.00    +0.022 C 
BRANCH  23  27
ATOM     27  O   LIG    1        6.812  -0.464   0.288  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1        7.209   0.423   0.309  0.00  0.00    +0.210 HD
ENDBRANCH  23  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4