REMARK  Name = BDB051175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.187  -1.675  -0.398  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -1.746  -0.461  -0.297  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.962   0.572   0.031  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.349   0.458   0.273  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        0.918  -0.753   0.173  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.159  -1.859  -0.152  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.293  -0.914   0.449  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        2.915   0.294   1.037  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        4.387   0.010   1.415  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.185  -0.463   0.261  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        6.556  -0.761   0.671  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.539  -1.661  -0.316  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.063  -1.415  -0.712  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -1.966  -2.812  -0.702  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -1.469  -3.459  -1.302  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -6.881  -2.277  -0.177  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -5.494  -2.662  -0.509  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -5.197  -3.725  -1.314  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -5.841  -4.362  -1.772  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -3.881  -3.922  -1.487  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -3.306  -2.941  -0.787  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -4.274  -2.135  -0.146  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -1.625   1.795   0.111  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1       -2.596   1.641  -0.121  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.218   3.114   0.335  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -2.202   4.115   0.410  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -1.859   5.448   0.653  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1       -3.099   6.640   0.733  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1       -0.526   5.798   0.830  0.00  0.00    +0.142 A 
ATOM     30  F   LIG    1       -0.173   7.071   1.064  0.00  0.00    -0.204 F 
ATOM     31  C   LIG    1        0.465   4.828   0.768  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        0.117   3.495   0.526  0.00  0.00    +0.026 A 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5