REMARK  Name = BDB061972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.133   0.200  -0.407  0.00  0.00    -0.149 N 
ATOM      2  N   LIG    1       -2.233  -0.211   0.521  0.00  0.00    -0.147 NA
ATOM      3  C   LIG    1       -1.057   0.099  -0.040  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -1.308   0.707  -1.339  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -0.267   1.141  -2.173  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.029   0.937  -1.648  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        1.290   0.344  -0.379  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        0.243  -0.094   0.463  0.00  0.00    +0.055 A 
ATOM      9  N   LIG    1       -2.631   0.754  -1.538  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -8.777  -0.363   0.417  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -7.299  -0.241   0.190  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -6.394  -0.662   1.172  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.017  -0.521   0.977  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -4.532   0.055  -0.205  0.00  0.00    +0.086 A 
ATOM     15  C   LIG    1       -5.434   0.491  -1.185  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -6.810   0.347  -0.983  0.00  0.00    +0.005 A 
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  N   LIG    1        2.598   0.149   0.125  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        2.648  -0.278   1.043  0.00  0.00    +0.155 HD
ATOM     19  C   LIG    1        3.796   0.515  -0.455  0.00  0.00    +0.250 C 
ATOM     20  O   LIG    1        3.946   1.066  -1.539  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.032   0.146   0.296  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1        5.168   0.206   1.692  0.00  0.00    +0.053 A 
ATOM     23 CL   LIG    1        3.912   0.744   2.750  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        6.381  -0.156   2.296  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.467  -0.569   1.520  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        7.339  -0.617   0.128  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1        6.132  -0.260  -0.486  0.00  0.00    +0.047 A 
BRANCH  26  28
ATOM     28  N   LIG    1        8.478  -1.049  -0.693  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        8.282  -1.218  -1.904  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        9.562  -1.224  -0.121  0.00  0.00    -0.126 OA
ENDBRANCH  26  28
ENDBRANCH  19  21
ENDBRANCH   7  17
TORSDOF 4