REMARK  Name = BDB026464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.797  -1.298  -0.831  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.898  -0.329  -0.422  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        0.644  -0.029   0.735  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.341   0.248  -1.560  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.044  -0.193  -2.749  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        2.017  -1.258  -2.256  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.671  -2.022   0.071  0.00  0.00    +0.164 C 
BRANCH   7  11
ATOM      8  C   LIG    1        6.430  -0.074   0.645  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        6.247  -1.135  -0.233  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        5.061  -1.770  -0.422  0.00  0.00    -0.258 NA
ATOM     11  C   LIG    1        3.995  -1.325   0.293  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        4.085  -0.243   1.169  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        5.316   0.390   1.345  0.00  0.00    +0.016 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.381   1.726   2.176  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.055   1.217   1.927  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1        7.419   1.159   2.710  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.785   0.514   0.769  0.00  0.00    +0.245 C 
ATOM     18  O   LIG    1        8.613   0.336  -0.118  0.00  0.00    -0.270 OA
ENDBRANCH   8  17
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1       -0.438   1.484  -1.574  0.00  0.00    +0.142 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.652   1.546  -0.618  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.209   1.825   0.716  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.572   1.119   0.959  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.520   0.266  -0.679  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.942   0.461  -0.306  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.688  -0.789  -0.556  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.127  -0.754  -0.086  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.541   0.161   0.895  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.869   0.154   1.342  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.779  -0.772   0.830  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.370  -1.690  -0.135  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.574   1.193   1.412  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.050  -1.686  -0.587  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -4.107   0.855   1.101  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 8