REMARK  Name = BDB040423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.545  -1.137  -0.972  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1        1.214   0.202  -0.922  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.506   0.756  -0.128  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.181  -1.867  -1.891  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.716  -3.142   0.026  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        2.396  -1.644   0.223  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        1.510  -1.529   1.484  0.00  0.00    +0.025 C 
BRANCH   6   8
ATOM      8  C   LIG    1        3.725  -0.870   0.308  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        4.180  -0.269   1.492  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        5.397   0.419   1.528  0.00  0.00    +0.136 A 
ATOM     11  F   LIG    1        5.753   0.996   2.684  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        6.192   0.526   0.390  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1        5.764  -0.078  -0.797  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.545  -0.765  -0.834  0.00  0.00    +0.005 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.485   1.245   0.460  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1        8.166   1.278   1.474  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1        7.893   1.894  -0.675  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        8.720   2.471  -0.580  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        7.268   2.097  -1.442  0.00  0.00    +0.145 HD
ENDBRANCH  12  15
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2  20
ATOM     20  C   LIG    1        0.339   0.814  -1.894  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.073   0.862  -1.375  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1       -1.546   1.973  -0.676  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.855   2.001  -0.173  0.00  0.00    +0.047 A 
ATOM     24 CL   LIG    1       -3.294   3.428   0.708  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -3.741   0.918  -0.355  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.235  -0.210  -1.037  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1       -4.161  -1.653  -1.287  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -1.925  -0.233  -1.537  0.00  0.00    +0.025 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -5.169   0.979   0.184  0.00  0.00    +0.108 C 
ATOM     30  C   LIG    1       -6.233   0.662  -0.865  0.00  0.00    +0.227 C 
ATOM     31  O   LIG    1       -6.148   1.020  -2.038  0.00  0.00    -0.275 OA
ATOM     32  N   LIG    1       -7.361   0.018  -0.416  0.00  0.00    -0.256 N 
ATOM     33  H   LIG    1       -8.064  -0.172  -1.117  0.00  0.00    +0.157 HD
ATOM     34  C   LIG    1       -7.752  -0.179   0.884  0.00  0.00    +0.219 C 
ATOM     35  O   LIG    1       -8.878  -0.587   1.153  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1       -6.764   0.220   1.953  0.00  0.00    +0.097 C 
ATOM     37  C   LIG    1       -5.334   0.123   1.446  0.00  0.00    +0.027 C 
ENDBRANCH  25  29
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 6