REMARK  Name = BDB012501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.977  -0.583   0.693  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.038   0.241  -0.061  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -1.264  -0.151   0.660  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.045  -1.081   1.633  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -2.280  -1.396   2.195  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.237  -0.651   1.527  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -2.585   0.156   0.618  0.00  0.00    -0.342 N 
ATOM      8  C   LIG    1        0.357  -1.390   1.698  0.00  0.00    +0.254 C 
ATOM      9  O   LIG    1        0.848  -2.176   2.490  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1        5.524  -2.430   1.552  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        4.637  -1.415   0.877  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1        5.159  -0.404   0.013  0.00  0.00    +0.164 A 
ATOM     13  N   LIG    1        4.267   0.472  -0.574  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        5.043   1.309  -1.347  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1        6.310   0.965  -1.225  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1        4.511   2.411  -2.177  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        2.892   0.435  -0.363  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        2.351  -0.499   0.449  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        6.382  -0.110  -0.372  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        3.295  -1.444   1.069  0.00  0.00    +0.032 A 
ENDBRANCH   1  18
BRANCH   2  21
ATOM     21  C   LIG    1       -0.103  -0.087  -1.545  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -0.194  -1.413  -2.004  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.264  -1.694  -3.371  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.247  -0.652  -4.293  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.337  -0.995  -5.976  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.159   0.669  -3.861  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.088   0.950  -2.494  0.00  0.00    +0.007 A 
ENDBRANCH   2  21
BRANCH   7  28
ATOM     28  C   LIG    1       -3.227   1.068  -0.341  0.00  0.00    +0.115 C 
ATOM     29  C   LIG    1       -4.553   1.705   0.137  0.00  0.00    +0.110 C 
ATOM     30  N   LIG    1       -4.062   3.032  -0.300  0.00  0.00    -0.301 NA
ATOM     31  C   LIG    1       -4.504   3.327  -1.664  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1       -2.679   2.512  -0.289  0.00  0.00    +0.110 C 
ENDBRANCH   7  28
BRANCH   5  33
ATOM     33  C   LIG    1       -2.548  -2.423   3.310  0.00  0.00    +0.021 C 
ATOM     34  C   LIG    1       -1.873  -2.245   4.644  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -3.349  -2.010   4.517  0.00  0.00    +0.009 C 
ENDBRANCH   5  33
TORSDOF 4