REMARK  Name = BDB029556
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.003   0.745   1.253  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.229  -0.099   0.452  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.929  -0.466   0.834  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.141  -1.378  -0.046  0.00  0.00    +0.247 C 
ATOM      5  N   LIG    1       -0.203  -1.560   0.277  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -0.858  -0.664   1.224  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        0.008  -0.426   2.455  0.00  0.00    +0.055 C 
ATOM      8  O   LIG    1        1.682  -1.926  -1.002  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.385   0.008   2.037  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        2.159   0.832   2.856  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.451   1.195   2.463  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        5.332   1.109   0.945  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1        5.581   1.993   1.380  0.00  0.00    +0.152 HD
BRANCH  12  18
ATOM     14  C   LIG    1        9.318   0.458  -1.746  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        8.060   0.265  -1.067  0.00  0.00    -0.273 N 
ATOM     16  N   LIG    1        7.426  -0.916  -1.178  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        6.322  -0.746  -0.440  0.00  0.00    +0.157 A 
ATOM     18  C   LIG    1        6.248   0.543   0.127  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        7.403   1.167  -0.281  0.00  0.00    +0.131 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -1.038  -2.390  -0.591  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.331  -1.820  -1.992  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.075  -2.790  -2.749  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.030  -2.516  -3.681  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.062  -0.454  -2.005  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.214  -0.290  -1.093  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.661   1.119  -1.112  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -4.902   1.376  -0.285  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -5.781   0.329   0.036  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -6.942   0.595   0.774  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.242   1.898   1.169  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.384   2.942   0.834  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.439  -1.085  -0.355  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.221   2.684   0.108  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.347  -1.164  -1.434  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7