REMARK  Name = BDB007629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.256   0.664   1.020  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.630  -0.393   0.397  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        1.184  -1.196   0.121  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.666   1.479   1.720  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        7.489   0.627  -0.600  0.00  0.00    +0.215 A 
ATOM      6  N   LIG    1        6.868   1.162   0.472  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1        5.536   1.022   0.561  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        4.776   0.341  -0.416  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.381   0.218  -0.279  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        2.731   0.765   0.832  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        3.479   1.452   1.790  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        5.456  -0.199  -1.516  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.866   1.569   1.647  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.835  -0.054  -1.610  0.00  0.00    +0.068 A 
BRANCH   5  16
ATOM     15  C   LIG    1        9.464   1.462   0.335  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1        8.859   0.745  -0.736  0.00  0.00    -0.480 OA
ENDBRANCH   5  16
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  C   LIG    1       -0.765  -0.698   0.676  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.322  -1.696  -0.343  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.383  -2.790  -0.446  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.741  -3.416  -1.101  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.711  -2.265   0.035  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.892  -1.403   0.100  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.053  -0.512  -1.056  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.308   0.334  -0.989  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.971   0.549   0.233  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.112   1.361   0.274  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.578   1.978  -0.886  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.914   1.784  -2.095  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.491  -0.147   1.483  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.783   0.969  -2.147  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.051  -0.667   1.356  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7