REMARK  Name = BDB004635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.649  -1.558   1.223  0.00  0.00    -0.327 N 
ATOM      2  H   LIG    1        0.328  -2.348   0.654  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        4.133  -0.600  -2.003  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        3.010  -0.173  -1.263  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1        2.423  -1.099  -0.379  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.295  -0.659   0.344  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1        0.803   0.582   0.215  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        1.437   1.391  -0.633  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.971  -2.399  -0.240  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.078  -2.799  -0.976  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1        2.500   1.074  -1.380  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        4.656  -1.901  -1.858  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1        4.406   1.549  -3.167  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.892   2.150  -3.817  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.613   1.906  -2.642  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        4.851   0.275  -2.983  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        5.821  -0.131  -3.616  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.506  -1.038   1.979  0.00  0.00    +0.126 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.866  -1.399   1.292  0.00  0.00    +0.098 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.896  -0.287   1.411  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -2.673   0.982   0.850  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -3.624   2.017   0.949  0.00  0.00    +0.073 A 
ATOM     23  C   LIG    1       -4.823   1.757   1.620  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1       -6.054   2.954   1.796  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -5.063   0.497   2.176  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -4.109  -0.518   2.071  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.337   3.362   0.338  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1       -2.115   3.420  -0.272  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -4.232   3.714  -0.625  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -3.329   4.373   1.249  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  19  20
BRANCH  19  31
ATOM     31  N   LIG    1       -1.717  -1.826  -0.115  0.00  0.00    -0.322 NA
ATOM     32  H   LIG    1       -1.268  -1.065  -0.627  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -2.645  -1.931  -0.525  0.00  0.00    +0.119 HD
ENDBRANCH  19  31
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7