REMARK  Name = BDB001215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.114  -1.191  -1.397  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        0.152  -1.009  -0.403  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -1.106  -1.145  -2.036  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -1.303  -1.632  -3.143  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.217  -0.496  -1.288  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.990   0.519  -0.355  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.072   1.094   0.319  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.385   0.680   0.067  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1       -4.605  -0.331  -0.865  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.527  -0.911  -1.547  0.00  0.00    +0.016 A 
BRANCH   8  11
ATOM     11  O   LIG    1       -5.323   1.337   0.806  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.723   1.291   0.503  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -6.988   1.890  -0.889  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -7.347   2.231   1.554  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.403  -0.086   0.716  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1       -6.868  -1.054   1.240  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -8.692  -0.158   0.297  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -9.073   0.662  -0.064  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  C   LIG    1        1.216  -1.902  -2.002  0.00  0.00    +0.149 C 
BRANCH  19  22
ATOM     20  C   LIG    1        2.317  -3.701   0.435  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1        2.916  -2.458  -0.119  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        2.431  -1.698  -1.168  0.00  0.00    +0.030 A 
ATOM     23  S   LIG    1        3.469  -0.362  -1.437  0.00  0.00    -0.070 S 
ATOM     24  C   LIG    1        4.490  -0.874  -0.147  0.00  0.00    +0.109 A 
ATOM     25  N   LIG    1        4.080  -1.975   0.455  0.00  0.00    -0.244 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.708  -0.131   0.242  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.462  -0.597   1.334  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        7.625   0.061   1.752  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        8.073   1.206   1.083  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        7.325   1.684  -0.001  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        6.161   1.023  -0.417  0.00  0.00    +0.011 A 
BRANCH  29  32
ATOM     32  C   LIG    1        9.312   1.933   1.544  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1        9.033   2.905   2.455  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       10.225   1.115   2.138  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        9.976   2.553   0.528  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 9