REMARK  Name = BDB003407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.933  -0.912  -0.262  0.00  0.00    -0.307 N 
ATOM      2  C   LIG    1       -3.643  -1.848  -1.000  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -4.951  -1.840  -0.491  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -5.946  -2.671  -1.001  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -5.567  -3.515  -2.054  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.255  -3.521  -2.565  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -4.966  -0.891   0.525  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1       -3.259  -2.682  -2.047  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -3.742  -0.349   0.645  0.00  0.00    +0.179 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -1.535  -0.560  -0.430  0.00  0.00    +0.285 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -1.129   0.155   0.724  0.00  0.00    -0.359 OA
BRANCH  11  12
ATOM     12  C   LIG    1        0.201   0.667   0.627  0.00  0.00    +0.162 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.242  -0.420   0.883  0.00  0.00    +0.028 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.656   0.159   0.936  0.00  0.00    +0.002 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.697  -0.941   1.155  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.118  -0.407   1.352  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.670   0.332   0.129  0.00  0.00    -0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        7.140   0.708   0.329  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.703   1.586  -0.793  0.00  0.00    -0.000 C 
BRANCH  19  21
ATOM     20  C   LIG    1        8.429  -0.321  -2.326  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        7.655   0.982  -2.198  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  22
ATOM     22  C   LIG    1       -6.101  -0.516   1.369  0.00  0.00    +0.158 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.306   0.975   1.289  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -6.633   1.585   0.067  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.812   2.967  -0.009  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.670   3.752   1.132  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.353   3.158   2.352  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.173   1.776   2.433  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 13