REMARK  Name = BDB036200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.285   1.302   0.778  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.878   1.800   1.546  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.198   1.847   0.744  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.568   0.497   0.288  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.455  -0.438   0.042  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.136   0.320  -0.247  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.873   0.151  -0.012  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.303  -1.177  -0.145  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        5.564  -1.587  -0.435  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        6.488  -0.618  -0.614  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        6.191   0.734  -0.510  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        4.878   1.107  -0.206  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        7.880  -1.072  -0.938  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1        8.903  -0.350  -0.335  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        8.669   0.227   0.462  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       10.268  -0.792  -0.466  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1        8.085  -2.030  -1.675  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.304   0.765   1.694  0.00  0.00    +0.122 C 
BRANCH  18  28
ATOM     19  C   LIG    1       -7.152  -0.932  -0.543  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1       -6.599  -2.115   0.258  0.00  0.00    +0.271 A 
ATOM     21  O   LIG    1       -7.248  -3.142   0.384  0.00  0.00    -0.266 OA
ATOM     22  N   LIG    1       -5.356  -1.934   0.806  0.00  0.00    -0.317 N 
ATOM     23  H   LIG    1       -4.956  -2.692   1.343  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -4.648  -0.739   0.637  0.00  0.00    +0.104 A 
ATOM     25  C   LIG    1       -5.224   0.296  -0.108  0.00  0.00    +0.090 A 
ATOM     26  C   LIG    1       -4.512   1.486  -0.266  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -3.244   1.641   0.308  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -2.660   0.600   1.046  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.384  -0.583   1.208  0.00  0.00    +0.153 A 
ATOM     30  F   LIG    1       -2.861  -1.594   1.922  0.00  0.00    -0.203 F 
ATOM     31  N   LIG    1       -6.494   0.182  -0.699  0.00  0.00    -0.245 NA
BRANCH  19  33
ATOM     32  C   LIG    1       -9.032   0.063  -1.935  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -8.525  -1.133  -1.149  0.00  0.00    +0.057 C 
ENDBRANCH  19  33
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5