REMARK  Name = BDB032251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.421   0.059   1.004  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.612  -0.823   1.288  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        1.918  -0.585   1.015  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        2.243   0.589   0.436  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        1.267   1.532   0.116  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.070   1.268   0.405  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.598   0.889   0.148  0.00  0.00    -0.301 N 
ATOM      8  C   LIG    1        4.479  -0.323   0.043  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        5.930   0.120  -0.260  0.00  0.00    +0.147 C 
ATOM     10  N   LIG    1        6.386   1.138   0.659  0.00  0.00    -0.331 N 
ATOM     11  C   LIG    1        5.546   1.987   1.324  0.00  0.00    +0.127 A 
ATOM     12  N   LIG    1        6.232   2.830   2.070  0.00  0.00    -0.239 NA
ATOM     13  C   LIG    1        7.551   2.512   1.861  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1        7.670   1.455   0.988  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1        4.060   1.855   1.190  0.00  0.00    +0.181 C 
BRANCH   8  16
ATOM     16  C   LIG    1        4.030  -1.248  -1.113  0.00  0.00    +0.180 C 
BRANCH  16  17
ATOM     17  O   LIG    1        3.949  -0.519  -2.339  0.00  0.00    -0.393 OA
ATOM     18  H   LIG    1        3.420   0.276  -2.122  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.848  -0.267   1.359  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.684  -0.165   0.171  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -2.260  -0.633  -0.626  0.00  0.00    +0.146 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -6.959  -0.699  -2.147  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -6.235  -0.688  -0.927  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.840  -0.432  -0.976  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.066  -0.437   0.229  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -4.730  -0.612   1.452  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.098  -0.860   1.503  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -4.280  -0.170  -2.240  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -5.080  -0.195  -3.366  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -6.839  -0.909   0.328  0.00  0.00    +0.012 A 
ATOM     31  N   LIG    1       -6.396  -0.461  -3.343  0.00  0.00    -0.240 NA
BRANCH  22  32
ATOM     32  N   LIG    1       -8.340  -0.956  -2.176  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -8.517  -1.872  -1.777  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -8.821  -0.256  -1.622  0.00  0.00    +0.144 HD
ENDBRANCH  22  32
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7