REMARK  Name = BDB062214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.256   0.936  -0.257  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -2.971   0.771   0.078  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -2.197   1.839   0.767  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -2.566   2.937   1.130  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.976   1.266   0.904  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -0.208   1.685   1.398  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.012   0.010   0.394  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1       -2.168  -0.335  -0.098  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -7.357  -0.986  -1.190  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -6.855  -1.832  -2.185  0.00  0.00    +0.158 A 
ATOM     11  C   LIG    1       -5.520  -1.798  -2.560  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -4.656  -0.903  -1.929  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.124  -0.051  -0.918  0.00  0.00    -0.019 A 
ATOM     14  C   LIG    1       -6.486  -0.092  -0.564  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -9.241  -0.299   0.087  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -8.697  -1.130  -0.931  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -7.684  -2.718  -2.819  0.00  0.00    -0.503 OA
ATOM     18  H   LIG    1       -8.559  -2.577  -2.409  0.00  0.00    +0.292 HD
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  N   LIG    1        0.057  -0.829   0.443  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1       -0.153  -1.769   0.125  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.426  -0.518   0.392  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        1.929   0.708  -0.043  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.308   0.973  -0.032  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.234   0.032   0.434  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.718  -1.201   0.860  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        2.343  -1.471   0.844  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  N   LIG    1        5.620   0.247   0.456  0.00  0.00    -0.327 N 
ATOM     28  C   LIG    1        6.161   1.390  -0.311  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        7.705   1.325  -0.363  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1        8.330   1.273   0.972  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1        9.334   1.131   0.862  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        7.765   0.135   1.721  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1        6.221   0.153   1.810  0.00  0.00    +0.120 C 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 6