REMARK  Name = BDB049210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.170   0.431   0.894  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.997   1.605   0.024  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.497   1.530  -0.355  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.161   1.035   0.959  0.00  0.00    +0.053 C 
ATOM      5  C   LIG    1        0.005   0.457   1.790  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.293   0.056   0.768  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.257  -1.237   0.144  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.545  -1.777   0.212  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.857  -3.042  -0.313  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -2.833  -3.774  -0.920  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.543  -3.263  -1.002  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -4.335  -0.848   0.854  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -5.745  -1.008   1.129  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -1.244  -2.003  -0.474  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -3.594   0.249   1.198  0.00  0.00    +0.090 A 
ENDBRANCH   4   6
BRANCH   3  16
ATOM     16  N   LIG    1       -1.016   2.748  -1.018  0.00  0.00    -0.304 NA
ATOM     17  C   LIG    1       -2.316   2.502  -1.644  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -1.084   3.938  -0.174  0.00  0.00    +0.104 C 
ENDBRANCH   3  16
BRANCH   1  19
ATOM     19  C   LIG    1        2.433   0.426   1.626  0.00  0.00    +0.140 C 
BRANCH  19  22
ATOM     20  C   LIG    1        4.926   2.372   0.718  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1        4.642   0.969   0.341  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        3.584   0.162   0.723  0.00  0.00    +0.061 A 
ATOM     23  N   LIG    1        3.803  -1.037   0.077  0.00  0.00    -0.286 N 
ATOM     24  C   LIG    1        4.985  -0.910  -0.654  0.00  0.00    +0.235 A 
ATOM     25  N   LIG    1        5.468  -1.950  -1.399  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1        4.762  -3.037  -1.384  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1        3.492  -3.263  -0.640  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        3.065  -2.217   0.078  0.00  0.00    +0.096 A 
ATOM     29  N   LIG    1        5.495   0.293  -0.495  0.00  0.00    -0.215 NA
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 4