REMARK  Name = BDB039666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.326  -0.355  -1.314  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1        0.819  -0.810  -2.139  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        2.225  -0.733  -1.578  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        2.474  -0.126  -0.251  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        1.282  -0.010   0.605  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1        1.822   0.133  -2.740  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        0.082   0.536  -0.204  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.761  -0.155   0.303  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.906  -0.102  -0.507  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        6.193  -0.123  -0.074  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        6.364  -0.193   1.272  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        5.315  -0.245   2.176  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.008  -0.223   1.679  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.780  -0.220   1.764  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        8.727  -0.121   0.767  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.370  -0.134  -0.185  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       10.135  -0.256   1.022  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.043  -0.332   2.956  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.378   0.269  -2.143  0.00  0.00    +0.142 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.060   0.036   1.002  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -6.573  -1.375   0.801  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -7.211  -2.342   1.204  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -5.380  -1.543   0.146  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -5.073  -2.499   0.025  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.611  -0.475  -0.333  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -5.055   0.825  -0.148  0.00  0.00    +0.110 A 
ATOM     27  N   LIG    1       -4.353   1.888  -0.585  0.00  0.00    -0.147 NA
ATOM     28  N   LIG    1       -3.165   1.682  -1.231  0.00  0.00    -0.152 NA
ATOM     29  C   LIG    1       -2.704   0.421  -1.430  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1       -3.411  -0.691  -0.988  0.00  0.00    +0.054 A 
ATOM     31  C   LIG    1       -6.318   1.061   0.540  0.00  0.00    +0.040 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -8.911   1.563   1.952  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.380   0.152   1.727  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5