REMARK  Name = BDB020585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.552  -0.810   0.021  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1        2.891  -2.158   0.336  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1        2.164  -2.944   1.233  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.758  -4.183   1.343  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.878  -4.186   0.489  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        1.014  -2.379   1.839  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.670  -1.111   1.548  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        3.932  -2.951  -0.117  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1        1.453  -0.270   0.626  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        0.938   1.140   0.460  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -0.572  -0.619   2.209  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -1.715  -1.135   1.654  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1       -1.646  -1.720   0.828  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -0.539   0.195   3.124  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -3.032  -0.665   2.018  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.467   0.385   1.038  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -3.914  -0.150  -0.292  0.00  0.00    +0.254 A 
ATOM     18  O   LIG    1       -3.883  -1.350  -0.555  0.00  0.00    -0.268 OA
ATOM     19  N   LIG    1       -4.350   0.768  -1.212  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -4.648   0.382  -2.100  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.396   2.122  -0.997  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -4.894   2.975  -2.121  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1       -3.997   2.607   0.187  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -3.521   1.721   1.244  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -3.110   2.429   2.506  0.00  0.00    +0.044 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  C   LIG    1        3.426  -0.035  -0.959  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        4.780   0.349  -0.356  0.00  0.00    +0.044 C 
BRANCH  26  28
ATOM     28  O   LIG    1        3.614  -0.803  -2.154  0.00  0.00    -0.358 OA
BRANCH  28  29
ATOM     29  C   LIG    1        3.648  -0.024  -3.349  0.00  0.00    +0.248 C 
BRANCH  29  31
ATOM     30  C   LIG    1        1.172   0.555  -4.162  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1        2.287   0.299  -3.797  0.00  0.00    -0.077 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 7