REMARK  Name = BDB061231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.470   0.971   1.506  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -2.688   0.272   0.605  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -2.828  -1.045   0.962  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -2.135  -2.077   0.232  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.331  -1.679  -0.849  0.00  0.00    +0.058 A 
ATOM      6  N   LIG    1       -1.235  -0.278  -1.166  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1       -0.644  -2.669  -1.565  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -0.762  -4.017  -1.209  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.566  -4.396  -0.138  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.254  -3.425   0.585  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1       -3.624  -1.147   2.002  0.00  0.00    -0.129 NA
ATOM     12  C   LIG    1       -1.893   0.733  -0.446  0.00  0.00    +0.337 A 
ATOM     13  O   LIG    1       -1.800   1.934  -0.653  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1       -4.027   0.117   2.343  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -4.722   2.900   0.544  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.662   2.448   1.535  0.00  0.00    +0.073 C 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1       -0.445   0.154  -2.328  0.00  0.00    +0.222 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.079   0.177  -2.128  0.00  0.00    +0.237 C 
ATOM     19  N   LIG    1        1.480   0.200  -0.805  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        0.739   0.165  -0.117  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.820   0.232  -3.107  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.794   0.243  -0.299  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        2.938   0.237   1.097  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.207   0.276   1.687  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        5.344   0.321   0.874  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.215   0.328  -0.519  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        3.940   0.289  -1.098  0.00  0.00    +0.025 A 
BRANCH  25  28
ATOM     28  N   LIG    1        6.678   0.360   1.485  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        7.659   0.392   0.729  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        6.744   0.359   2.723  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 5