REMARK  Name = BDB031054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.446  -1.252   0.604  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.671  -0.930   0.132  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        2.315  -1.826  -0.640  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.759  -3.070  -0.929  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.502  -3.395  -0.428  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.171  -2.470   0.358  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -3.562   0.771   0.321  0.00  0.00    -0.000 A 
ATOM      8  C   LIG    1       -2.383   0.110   0.285  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -1.410   0.335   1.264  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -1.577   1.255   2.296  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -0.508   1.343   3.054  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        0.382   0.453   2.514  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -2.821   1.938   2.363  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -0.154  -0.223   1.432  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -3.767   1.709   1.433  0.00  0.00    +0.011 A 
BRANCH   7  17
ATOM     16  C   LIG    1       -5.105   1.913  -1.357  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -4.674   0.590  -0.710  0.00  0.00    +0.087 C 
ATOM     18  C   LIG    1       -5.883  -0.123  -0.094  0.00  0.00    +0.046 C 
BRANCH  17  19
ATOM     19  O   LIG    1       -4.208  -0.260  -1.769  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1       -3.573   0.256  -2.295  0.00  0.00    +0.211 HD
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  21
ATOM     21  N   LIG    1        3.602  -1.546  -1.133  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1        3.609  -1.735  -2.133  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.088  -0.184  -0.853  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.405   0.085  -1.578  0.00  0.00    +0.201 C 
ATOM     25  F   LIG    1        5.171   0.512  -2.844  0.00  0.00    -0.242 F 
ATOM     26  C   LIG    1        6.025   1.183  -0.735  0.00  0.00    +0.119 C 
ATOM     27  N   LIG    1        5.767   0.767   0.646  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1        5.716   1.574   1.267  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        4.473   0.051   0.621  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5