REMARK  Name = BDB045239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.630  -1.038   0.740  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.906   0.028   0.354  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1        0.425  -0.144   0.214  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.058  -1.362   0.427  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1        2.398  -1.164   0.194  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1        3.101  -1.881   0.276  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        2.628   0.137  -0.166  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1        0.336  -2.486   0.802  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.413   0.793  -0.159  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1       -1.042  -2.294   0.949  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        4.007   0.776  -0.521  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1        5.291   0.156  -0.543  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        6.160   1.176  -0.924  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        7.540   1.000  -1.071  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        8.052  -0.274  -0.817  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        7.215  -1.320  -0.434  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        5.371   2.280  -1.094  0.00  0.00    -0.276 N 
ATOM     18  H   LIG    1        5.662   3.211  -1.369  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1        5.834  -1.121  -0.292  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1        4.069   2.069  -0.862  0.00  0.00    -0.171 NA
ENDBRANCH   7  11
BRANCH   1  22
ATOM     21  C   LIG    1       -3.898  -2.038   1.051  0.00  0.00    +0.140 C 
ATOM     22  N   LIG    1       -3.052  -0.868   0.853  0.00  0.00    -0.255 N 
ATOM     23  C   LIG    1       -3.591   0.426   0.902  0.00  0.00    +0.252 C 
ATOM     24  O   LIG    1       -3.045   1.424   1.365  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.968   0.618   0.374  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1       -5.335   0.092  -0.872  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -6.627   0.302  -1.361  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -7.539   1.048  -0.612  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -9.130   1.303  -1.216  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -7.169   1.595   0.617  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -5.878   1.387   1.108  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 3