REMARK  Name = BDB026458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.338   0.240   1.020  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        2.211   0.424   0.228  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.781   1.484  -0.195  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.628  -0.826   0.027  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        2.254  -1.813   0.881  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.589  -1.168   1.238  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.311   1.276   1.288  0.00  0.00    +0.144 C 
BRANCH   7  12
ATOM      8  C   LIG    1        6.314   1.641  -1.910  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        7.550   1.202  -1.566  0.00  0.00    -0.245 NA
ATOM     10  C   LIG    1        7.722   0.797  -0.290  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.716   0.806   0.663  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        5.447   1.263   0.297  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1        5.247   1.689  -1.022  0.00  0.00    +0.044 A 
BRANCH   8  15
ATOM     14  N   LIG    1        5.993   2.407  -4.373  0.00  0.00    -0.189 NA
ATOM     15  C   LIG    1        6.153   2.062  -3.275  0.00  0.00    +0.119 C 
ENDBRANCH   8  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  C   LIG    1        0.299  -1.011  -0.547  0.00  0.00    +0.142 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.830  -0.503   0.378  0.00  0.00    +0.146 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.950   0.922   0.252  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.051   1.299   0.150  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.177  -1.170  -0.006  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.182  -1.175   1.082  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -3.744   0.163   1.360  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.749   0.659   0.341  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.469  -0.244  -0.463  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.427   0.238  -1.365  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.683   1.606  -1.457  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.981   2.502  -0.654  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.160  -1.718  -0.407  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.021   2.031   0.243  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.295  -2.101   0.803  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8