REMARK  Name = BDB039665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.248   1.806  -0.151  0.00  0.00    -0.290 NA
ATOM      2  C   LIG    1       -0.913   2.636   0.250  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -2.309   2.139  -0.074  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1       -2.519   0.878  -0.825  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1       -1.294   0.163  -1.244  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1       -1.815   2.138   1.344  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -0.075   1.098  -1.410  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.702   0.132  -0.634  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.816   0.655   0.041  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1       -5.996   0.016   0.260  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1       -6.088  -1.246  -0.233  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -5.066  -1.871  -0.926  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -3.872  -1.170  -1.125  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.385  -1.962  -0.001  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.306  -1.240   0.729  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.046  -0.280   0.943  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.651  -1.698   0.943  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -7.585  -3.087  -0.442  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.479   2.609  -0.289  0.00  0.00    +0.142 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.658  -1.283   0.095  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        5.861  -1.448   1.357  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1        6.205  -2.220   2.246  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1        4.720  -0.695   1.476  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1        4.197  -0.819   2.333  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        4.276   0.188   0.484  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1        5.006   0.328  -0.688  0.00  0.00    +0.110 A 
ATOM     27  N   LIG    1        4.621   1.158  -1.675  0.00  0.00    -0.147 NA
ATOM     28  N   LIG    1        3.474   1.889  -1.522  0.00  0.00    -0.152 NA
ATOM     29  C   LIG    1        2.739   1.777  -0.387  0.00  0.00    +0.080 A 
ATOM     30  C   LIG    1        3.116   0.926   0.646  0.00  0.00    +0.054 A 
ATOM     31  C   LIG    1        6.228  -0.445  -0.866  0.00  0.00    +0.040 A 
BRANCH  20  33
ATOM     32  C   LIG    1        9.070  -1.543   0.752  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        7.905  -2.113  -0.044  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5