REMARK  Name = BDB029603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.937  -0.904   0.917  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.860  -0.391  -0.204  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.834  -0.763  -1.066  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.556  -0.080  -2.317  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.494   1.420  -2.095  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.762   2.017  -2.312  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.813   1.635  -1.532  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.929   2.456  -1.764  0.00  0.00    +0.086 A 
ATOM      9  C   LIG    1        5.119   2.256  -1.078  0.00  0.00    +0.148 A 
ATOM     10  F   LIG    1        6.159   3.068  -1.329  0.00  0.00    -0.203 F 
ATOM     11  C   LIG    1        5.259   1.233  -0.141  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.144   0.423   0.091  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1        2.912   0.597  -0.597  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        6.494   1.058   0.512  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1        7.119   1.852   0.375  0.00  0.00    +0.152 HD
BRANCH  14  16
ATOM     16  C   LIG    1        7.153  -0.090   0.986  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        6.801  -1.396   0.674  0.00  0.00    +0.158 A 
ATOM     18  N   LIG    1        7.432  -2.486   1.173  0.00  0.00    -0.156 NA
ATOM     19  N   LIG    1        8.459  -2.318   2.040  0.00  0.00    -0.158 NA
ATOM     20  C   LIG    1        8.826  -1.070   2.387  0.00  0.00    +0.137 A 
ATOM     21  C   LIG    1        8.203   0.060   1.888  0.00  0.00    +0.046 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
BRANCH   3  22
ATOM     22  C   LIG    1       -0.065  -1.853  -0.653  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.232  -1.422   0.271  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -0.755  -0.616   1.358  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        0.171  -0.885   1.541  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -2.332  -0.653  -0.501  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.693  -0.743   0.076  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -4.650  -0.052  -0.815  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.054   0.048  -0.261  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.294  -0.069   1.117  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -7.598   0.064   1.613  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.656   0.337   0.746  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.420   0.473  -0.620  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.159  -0.404   2.049  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.125   0.332  -1.121  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -3.776  -0.160   1.427  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7