REMARK  Name = BDB029631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.940   0.380   1.112  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.541   0.103   2.502  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.325   0.966   2.915  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.875   0.842   2.058  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.505   0.433   0.682  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.893   0.913   0.224  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.849  -0.342  -0.155  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.421  -0.929   0.983  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.141  -0.668   1.354  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.232   0.153   0.673  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.738   0.731  -0.498  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.048   0.489  -0.924  0.00  0.00    +0.035 A 
BRANCH   7  14
ATOM     13  O   LIG    1        7.721  -1.762  -0.508  0.00  0.00    -0.269 OA
ATOM     14  C   LIG    1        7.260  -0.627  -0.565  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        7.984   0.479  -0.993  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        7.603   1.402  -0.828  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        9.359   0.378  -1.366  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1       10.055   1.526  -2.045  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        9.747   0.276  -2.815  0.00  0.00    +0.024 C 
ENDBRANCH  15  17
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1       -1.868  -0.068   2.646  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.193  -0.044   1.926  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -3.720  -1.191   1.322  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.950  -1.108   0.680  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -5.619   0.112   0.660  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -6.908   0.197  -0.013  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -7.472  -0.860  -0.634  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -6.735  -2.184  -0.578  0.00  0.00    +0.253 A 
ATOM     28  O   LIG    1       -7.202  -3.201  -1.085  0.00  0.00    -0.268 OA
ATOM     29  N   LIG    1       -5.143   1.236   1.233  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -5.523  -2.221   0.062  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -5.060  -3.120   0.075  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.942   1.132   1.850  0.00  0.00    +0.116 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -8.786  -0.787  -1.311  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -8.853  -1.012  -2.802  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -9.106   0.356  -2.244  0.00  0.00    +0.009 C 
ENDBRANCH  26  33
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6