REMARK  Name = BDB049375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.426  -0.368   0.236  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.507  -1.428   0.266  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.149  -1.143   0.473  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        1.083  -2.001   0.535  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        0.019  -1.249   0.737  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1        0.375   0.082   0.821  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        1.738   0.175   0.641  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        2.631   1.252   0.608  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        3.984   0.952   0.402  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.457   0.747  -2.110  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.731  -0.158  -0.970  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.833  -0.633   0.022  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.615  -1.440   0.820  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.378  -2.248   2.033  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.886  -1.450   0.337  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.965  -0.643  -0.782  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -0.519   1.205   1.054  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.182   1.683  -0.246  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.096   2.824  -0.051  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -2.467   3.404  -1.364  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1       -3.478   4.552  -1.214  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1       -4.665   4.105  -0.547  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -4.335   3.595   0.750  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1       -3.341   2.426   0.650  0.00  0.00    +0.112 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  25
ATOM     25  C   LIG    1       -1.378  -1.773   0.837  0.00  0.00    +0.079 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.865  -2.296  -0.517  0.00  0.00    +0.043 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.335  -2.632  -0.481  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -4.287  -1.712  -0.942  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.648  -2.013  -0.883  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.070  -3.235  -0.361  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.132  -4.155   0.102  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.770  -3.856   0.044  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7