REMARK  Name = BDB001499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.491   1.772   2.710  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -0.392   2.684   3.145  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.865   1.471   2.520  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -2.754   1.849   3.510  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1       -2.358   2.521   4.600  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -4.070   1.522   3.320  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -4.516   0.864   2.234  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.603   0.520   1.311  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1       -2.293   0.803   1.429  0.00  0.00    -0.196 NA
BRANCH   8  10
ATOM     10  N   LIG    1       -3.947  -0.161   0.148  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.113  -0.305  -0.403  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -5.146  -0.649  -0.382  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.112  -1.295  -1.630  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -6.272  -1.806  -2.217  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -7.486  -1.677  -1.560  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -7.554  -1.044  -0.326  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -6.386  -0.535   0.256  0.00  0.00    +0.027 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -8.597  -2.187  -2.162  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -9.361  -2.024  -1.586  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1        2.973   0.691   0.501  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.957   1.816   1.329  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.803   2.162   2.045  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.628   1.406   1.938  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        0.667   0.265   1.132  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        1.820  -0.085   0.413  0.00  0.00    +0.025 A 
BRANCH  20  28
ATOM     26  O   LIG    1        3.616  -1.473  -1.432  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        4.414  -0.608  -1.085  0.00  0.00    +0.250 C 
ATOM     28  N   LIG    1        4.172   0.412  -0.185  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        4.929   1.065  -0.022  0.00  0.00    +0.155 HD
BRANCH  27  30
ATOM     30  C   LIG    1        5.801  -0.685  -1.635  0.00  0.00    +0.055 A 
ATOM     31  C   LIG    1        6.614   0.417  -1.935  0.00  0.00    +0.053 A 
ATOM     32 CL   LIG    1        6.110   2.060  -1.746  0.00  0.00    -0.083 Cl
ATOM     33  C   LIG    1        7.906   0.217  -2.444  0.00  0.00    +0.021 A 
ATOM     34  C   LIG    1        8.390  -1.073  -2.664  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.585  -2.172  -2.384  0.00  0.00    +0.001 A 
ATOM     36  C   LIG    1        6.299  -1.979  -1.876  0.00  0.00    +0.014 A 
ENDBRANCH  27  30
ENDBRANCH  20  28
ENDBRANCH   1  23
TORSDOF 7