REMARK  Name = BDB000228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.555  -1.359   0.403  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -2.548  -0.515   0.117  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.287  -0.971   0.183  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -0.980  -2.232   0.514  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -2.000  -3.060   0.785  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -3.314  -2.674   0.745  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -4.905  -0.934   0.344  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1       -5.386  -1.204   1.206  0.00  0.00    +0.154 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -6.571   0.897   0.423  0.00  0.00    +0.080 A 
ATOM     10  C   LIG    1       -5.414   0.302  -0.132  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.832   0.922  -1.253  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -5.343   2.110  -1.783  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -6.466   2.698  -1.215  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.080   2.093  -0.120  0.00  0.00    +0.017 A 
BRANCH   9  16
ATOM     15  O   LIG    1       -8.353   0.808   2.047  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -7.320   0.351   1.589  0.00  0.00    +0.339 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -6.756  -0.734   2.158  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.372  -0.924   2.901  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -0.312  -0.024  -0.115  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -0.768   0.856  -0.308  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.083  -0.045  -0.174  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.762   1.139  -0.486  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.164   1.188  -0.560  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        3.949   0.057  -0.314  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.260  -1.128  -0.019  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        1.859  -1.179   0.053  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.350   0.050  -0.382  0.00  0.00    -0.326 N 
ATOM     28  C   LIG    1        6.010  -0.364   0.882  0.00  0.00    +0.133 C 
ATOM     29  C   LIG    1        7.514  -0.582   0.643  0.00  0.00    +0.178 C 
ATOM     30  O   LIG    1        8.140   0.585   0.085  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        7.523   0.916  -1.169  0.00  0.00    +0.178 C 
ATOM     32  C   LIG    1        6.026   1.213  -0.995  0.00  0.00    +0.133 C 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7