REMARK  Name = BDB021377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.414  -3.055   0.230  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        1.447  -2.160   0.089  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.897  -0.967   0.228  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -0.469  -1.066   0.403  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.301   0.059   0.543  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.786   1.257   0.552  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.580   1.367   0.385  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.454   0.347   0.231  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -0.780  -2.405   0.438  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.895   0.649   0.053  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.568   1.546   0.890  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.932   1.811   0.707  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        5.694   1.187  -0.300  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1        4.994   0.289  -1.129  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.630   0.019  -0.955  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.236   1.504  -0.501  0.00  0.00    +0.112 C 
ATOM     17  N   LIG    1        8.047   1.593   0.735  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1        7.716   1.693   1.685  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        8.722   0.439   0.484  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1        9.387  -0.249   1.218  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1        8.215   0.393  -0.958  0.00  0.00    +0.122 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  23
ATOM     22  N   LIG    1        0.770  -5.620   0.104  0.00  0.00    -0.189 NA
ATOM     23  C   LIG    1        0.628  -4.469   0.162  0.00  0.00    +0.121 C 
ENDBRANCH   1  23
BRANCH   5  24
ATOM     24  N   LIG    1       -2.660  -0.094   0.696  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.030   0.788   1.045  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.458  -0.494  -0.460  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.872  -0.738  -0.029  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -5.815   0.280   0.075  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.714   1.722  -0.259  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -7.007   2.220   0.387  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -7.929   1.113   0.506  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -7.117   0.009   0.479  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -7.541  -1.265   0.799  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -6.608  -2.299   0.721  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -5.294  -2.030   0.316  0.00  0.00    +0.129 A 
ATOM     36  F   LIG    1       -4.426  -3.049   0.246  0.00  0.00    -0.205 F 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 6