REMARK  Name = BDB004715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.767  -0.235   0.534  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.247   0.410   1.154  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -6.050  -1.998  -0.916  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -4.784  -1.462  -1.233  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.919  -1.157  -0.164  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.663  -0.611  -0.506  0.00  0.00    +0.134 A 
ATOM      7  N   LIG    1       -2.291  -0.415  -1.781  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.173  -0.742  -2.720  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -4.320  -1.411   1.173  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.569  -1.942   1.463  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -4.395  -1.244  -2.510  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -6.434  -2.230   0.420  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -6.768  -2.164  -3.263  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.863  -1.795  -3.541  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -7.446  -2.417  -3.967  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -7.072  -2.359  -1.949  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -8.165  -2.821  -1.636  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.391   0.068   0.435  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        0.446  -0.513  -0.523  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        1.817  -0.235  -0.544  0.00  0.00    +0.084 A 
ATOM     21 CL   LIG    1        2.778  -0.986  -1.773  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        2.396   0.611   0.414  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        1.573   1.166   1.394  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        0.200   0.885   1.409  0.00  0.00    +0.027 A 
BRANCH  22  25
ATOM     25  O   LIG    1        3.743   0.833   0.310  0.00  0.00    -0.484 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.388   1.531   1.376  0.00  0.00    +0.284 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.884   1.591   1.149  0.00  0.00    +0.078 A 
ATOM     28  N   LIG    1        6.527   2.702   1.596  0.00  0.00    -0.256 NA
ATOM     29  C   LIG    1        7.867   2.756   1.429  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.614   1.746   0.847  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.948   0.608   0.411  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        6.567   0.523   0.566  0.00  0.00    +0.027 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 6