REMARK  Name = BDB023609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.993  -0.887  -0.391  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.118  -0.318   0.256  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.423  -0.714  -0.065  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.610  -0.168   0.686  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.874  -0.169  -0.188  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1        5.111   0.232   0.620  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1        5.095   1.724   0.623  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        4.274   2.193  -0.523  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1        4.054  -1.533  -0.841  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1        2.920  -2.119  -1.340  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        3.061  -2.953  -1.897  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        5.149  -2.062  -1.014  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        3.852   0.929  -1.262  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        1.622  -1.699  -1.036  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.537  -2.288  -1.677  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -0.761  -1.878  -1.360  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  22
ATOM     17  C   LIG    1       -7.246   1.574   1.066  0.00  0.00    +0.068 C 
ATOM     18  C   LIG    1       -6.343   0.401   0.989  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1       -4.979   0.379   0.588  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -4.600  -0.953   0.691  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -3.313  -1.407   0.380  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1       -2.362  -0.463  -0.054  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -2.738   0.887  -0.161  0.00  0.00    +0.009 A 
ATOM     24  N   LIG    1       -5.716  -1.610   1.134  0.00  0.00    -0.277 N 
ATOM     25  H   LIG    1       -5.813  -2.600   1.329  0.00  0.00    +0.189 HD
ATOM     26  C   LIG    1       -4.035   1.323   0.153  0.00  0.00    +0.012 A 
ATOM     27  N   LIG    1       -6.785  -0.819   1.321  0.00  0.00    -0.178 NA
ENDBRANCH   1  22
BRANCH   7  28
ATOM     28  C   LIG    1        5.993   2.483   1.263  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        6.767   3.143   1.816  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 2