REMARK  Name = BDB007335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.161  -0.240   0.273  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1       -0.253   0.423   0.281  0.00  0.00    +0.098 C 
ATOM      3  C   LIG    1       -0.499   1.164  -1.028  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1       -0.716   2.517  -0.760  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.967   3.449  -1.746  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.998   2.988  -3.064  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -0.774   1.631  -3.351  0.00  0.00    +0.142 A 
ATOM      8  F   LIG    1       -0.798   1.193  -4.619  0.00  0.00    -0.204 F 
ATOM      9 CL   LIG    1       -1.308   4.107  -4.336  0.00  0.00    -0.081 Cl
ATOM     10  N   LIG    1       -0.649   2.747   0.602  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -0.801   3.633   1.061  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -0.520   0.706  -2.336  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -0.424   1.574   1.311  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -0.403   1.499   2.528  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -1.234  -0.733   0.640  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1       -0.420  -1.985   0.297  0.00  0.00    +0.149 C 
ATOM     17  N   LIG    1        0.927  -1.597   0.775  0.00  0.00    -0.301 NA
ATOM     18  H   LIG    1        1.612  -2.270   0.429  0.00  0.00    +0.123 HD
ENDROOT
BRANCH  15  19
ATOM     19  C   LIG    1       -2.637  -0.605   0.066  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -3.073  -1.306  -1.069  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -4.371  -1.129  -1.556  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -4.877  -1.991  -2.957  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -5.257  -0.263  -0.922  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.843   0.433   0.210  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.546   0.263   0.700  0.00  0.00    +0.004 A 
ENDBRANCH  15  19
BRANCH  16  26
ATOM     26  C   LIG    1       -0.806  -3.319   0.964  0.00  0.00    +0.228 C 
ATOM     27  O   LIG    1       -0.061  -4.300   0.936  0.00  0.00    -0.274 OA
ATOM     28  N   LIG    1       -2.032  -3.433   1.544  0.00  0.00    -0.328 N 
ATOM     29  H   LIG    1       -2.201  -4.301   2.036  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1       -2.579  -2.635   1.832  0.00  0.00    +0.145 HD
ENDBRANCH  16  26
BRANCH   1  31
ATOM     31  C   LIG    1        2.256   0.518   1.051  0.00  0.00    +0.026 C 
BRANCH  31  33
ATOM     32  C   LIG    1        4.163  -0.146  -0.527  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        3.733   0.030   0.937  0.00  0.00    -0.036 C 
ATOM     34  C   LIG    1        3.976  -1.282   1.701  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1        4.628   1.114   1.578  0.00  0.00    +0.010 C 
ENDBRANCH  31  33
ENDBRANCH   1  31
TORSDOF 4