REMARK  Name = BDB004477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.281   0.548   0.241  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -0.108   0.975   0.403  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.251   1.106   1.902  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.963   0.795   2.509  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.141   0.827   3.879  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.042   1.185   4.662  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.192   1.502   4.064  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.347   1.464   2.674  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.935   0.464   1.460  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        3.098   0.197   1.695  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.376   2.329  -0.286  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.405   3.463   0.016  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.165   4.693  -0.605  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.861   4.809  -1.537  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -1.157   6.321  -2.301  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.649   3.707  -1.854  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.409   2.477  -1.233  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  19
ATOM     18  C   LIG    1        3.184   1.223  -1.239  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        1.905   0.392  -1.078  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.125  -1.065  -1.462  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        3.064  -1.878  -0.807  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.235  -3.216  -1.174  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.470  -3.754  -2.205  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        2.675  -5.403  -2.652  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        1.540  -2.966  -2.874  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        1.370  -1.628  -2.506  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   2  27
ATOM     27  O   LIG    1       -1.005  -0.008  -0.122  0.00  0.00    -0.347 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.945  -1.320   0.429  0.00  0.00    +0.172 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.204  -2.059   0.018  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -2.067  -3.523  -0.362  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -2.336  -2.499  -1.429  0.00  0.00    +0.012 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -3.439  -1.590   0.755  0.00  0.00    +0.165 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -4.587  -2.348   0.389  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1       -5.334  -1.987   0.893  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8