REMARK  Name = BDB052597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.440  -1.224   1.071  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -0.625  -0.110   0.919  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.573  -0.374   1.653  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.405  -1.631   2.210  0.00  0.00    +0.233 A 
ATOM      5  N   LIG    1        1.274  -2.306   2.973  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        2.400  -1.614   3.152  0.00  0.00    +0.227 A 
ATOM      7  N   LIG    1        2.717  -0.407   2.645  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        1.802   0.262   1.897  0.00  0.00    +0.134 A 
ATOM      9  O   LIG    1       -0.806  -2.140   1.865  0.00  0.00    -0.436 OA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -5.301  -2.458  -0.305  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.039  -1.107  -0.090  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.780  -0.700   0.362  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -2.764  -1.635   0.604  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -3.049  -2.993   0.387  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -4.307  -3.402  -0.065  0.00  0.00    +0.001 A 
ENDBRANCH   1  13
BRANCH   2  16
ATOM     16  C   LIG    1       -0.941   1.032   0.088  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.242   2.266   0.676  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -1.517   3.374  -0.127  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.488   3.253  -1.516  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.182   2.026  -2.106  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.906   0.917  -1.306  0.00  0.00    +0.008 A 
ENDBRANCH   2  16
BRANCH   8  22
ATOM     22  N   LIG    1        2.108   1.530   1.404  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1        1.443   1.836   0.698  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.500   1.794   1.043  0.00  0.00    +0.109 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.725   1.725  -0.476  0.00  0.00    +0.073 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.324   0.440  -1.120  0.00  0.00    +0.037 A 
ATOM     27  N   LIG    1        3.582  -0.804  -0.595  0.00  0.00    -0.348 N 
ATOM     28  H   LIG    1        4.028  -1.002   0.292  0.00  0.00    +0.166 HD
ATOM     29  C   LIG    1        3.030  -1.729  -1.433  0.00  0.00    +0.196 A 
ATOM     30  N   LIG    1        2.468  -1.162  -2.475  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1        2.650   0.183  -2.295  0.00  0.00    +0.133 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 6