REMARK  Name = BDB021249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.308   0.166  -0.628  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.780  -0.860   0.204  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.409  -1.024   0.198  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.127  -2.102   1.003  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.344  -2.504   1.502  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.449  -0.199  -0.551  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.043   0.743  -1.308  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.364  -1.721   1.015  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.414   0.903  -1.323  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.425   1.120  -0.748  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        5.737   1.284   0.400  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        4.426   0.947   0.381  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        3.746   0.476  -0.739  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.508   0.315  -1.903  0.00  0.00    +0.055 A 
ATOM     15 CL   LIG    1        3.828  -0.313  -3.365  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        5.862   0.642  -1.914  0.00  0.00    +0.087 A 
BRANCH  10  18
ATOM     17  C   LIG    1        8.288   1.878   0.448  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        7.766   1.438  -0.802  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1        1.593  -3.587   2.406  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        1.763  -4.466   3.145  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -1.811  -0.391  -0.508  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.216   0.101  -1.303  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.543   0.006   0.691  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.969  -0.440   0.576  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.941   0.308  -0.082  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.861   1.649  -0.710  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.196   1.656  -1.456  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.094   0.718  -0.821  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.253  -0.143  -0.164  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.659  -1.341   0.388  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.697  -2.116   1.035  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.373  -1.666   1.120  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.476  -2.435   1.756  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6