REMARK  Name = BDB056785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.150   0.940   0.187  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.960   0.618   0.853  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.155   0.320   0.058  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.112   0.357  -1.332  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.330   0.031  -1.870  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        2.133  -0.189  -0.845  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.083   0.703  -1.981  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        1.450  -0.042   0.346  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.999  -0.221   1.669  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.211   1.003  -1.208  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -3.228   1.260   0.987  0.00  0.00    -0.456 OA
BRANCH  11  18
ATOM     12  C   LIG    1       -7.987   2.008   0.358  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -6.830   1.046   0.386  0.00  0.00    -0.026 A 
ATOM     14  C   LIG    1       -7.007  -0.335   0.145  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.873  -1.177   0.095  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -5.989  -2.638  -0.249  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -4.603  -0.655   0.389  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -4.443   0.701   0.665  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -5.550   1.544   0.676  0.00  0.00    +0.051 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -8.267  -0.826  -0.246  0.00  0.00    -0.358 N 
ATOM     21  H   LIG    1       -9.048  -0.290   0.118  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -8.390  -1.819  -0.083  0.00  0.00    +0.142 HD
ENDBRANCH  14  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1        3.575  -0.573  -0.946  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.322   0.376  -0.184  0.00  0.00    -0.484 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.679   0.218  -0.152  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        6.357   1.190   0.591  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.748   1.155   0.714  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1        8.469   0.141   0.078  0.00  0.00    +0.059 A 
ATOM     29  C   LIG    1        7.797  -0.845  -0.650  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1        6.403  -0.803  -0.771  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.943   0.059   0.185  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       10.541  -0.990   0.339  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       10.548   1.258   0.050  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        9.959   1.980  -0.241  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 8