REMARK  Name = BDB053118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.178  -1.839   2.713  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.423  -1.379   1.762  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.108  -0.263   1.008  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.072  -0.014  -0.047  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.050  -1.145   0.129  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -3.189  -1.469  -0.593  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.921  -2.597  -0.206  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.511  -3.386   0.885  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.360  -3.062   1.604  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.655  -1.943   1.202  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.723   1.363   0.035  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.332   1.803   1.228  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.932   3.063   1.307  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.934   3.900   0.195  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.672   5.451   0.293  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.343   3.488  -0.996  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.744   2.228  -1.075  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.416  -0.218  -1.282  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.332  -0.799  -1.063  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        1.041   0.584   1.276  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.224   0.235   0.406  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.974  -0.921   0.661  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.055  -1.260  -0.155  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        4.409  -0.448  -1.242  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        3.648   0.701  -1.505  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        2.568   1.041  -0.687  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.563  -0.826  -2.139  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        5.175  -1.627  -3.169  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.171   0.250  -2.711  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.548  -1.505  -1.487  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5