REMARK  Name = BDB062330
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.313   0.285   0.411  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.433   1.629   0.156  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.255   2.196   0.638  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.067   3.586   0.520  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.065   4.361  -0.082  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.233   3.770  -0.560  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.505   1.103   1.155  0.00  0.00    +0.088 A 
ATOM      8  C   LIG    1        3.440   2.391  -0.453  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        1.174  -0.054   1.044  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        3.268  -0.757   0.080  0.00  0.00    +0.146 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.003  -1.357  -1.295  0.00  0.00    +0.051 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.054  -2.405  -1.642  0.00  0.00    +0.161 C 
BRANCH  12  14
ATOM     13  C   LIG    1        3.999  -2.319  -4.024  0.00  0.00    +0.193 C 
ATOM     14  O   LIG    1        3.750  -3.088  -2.856  0.00  0.00    -0.383 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  15
ATOM     15  C   LIG    1       -0.854   1.130   1.780  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.897   0.897   0.768  0.00  0.00    -0.290 N 
ATOM     17  C   LIG    1       -2.239  -0.375   0.287  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1       -2.836  -0.503  -0.790  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -1.936  -1.613   1.169  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1       -1.948  -2.836   0.414  0.00  0.00    -0.365 OA
ATOM     21  C   LIG    1       -3.062  -3.690   0.686  0.00  0.00    +0.176 C 
ATOM     22  C   LIG    1       -4.362  -2.913   0.918  0.00  0.00    +0.109 C 
ATOM     23  N   LIG    1       -4.296  -2.010   2.083  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -4.826  -1.170   1.847  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -2.898  -1.644   2.382  0.00  0.00    +0.122 C 
ENDBRANCH  17  19
BRANCH  16  26
ATOM     26  C   LIG    1       -2.275   2.046  -0.033  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1       -3.729   2.405  -0.221  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -2.840   3.302   0.581  0.00  0.00    +0.024 C 
ENDBRANCH  16  26
ENDBRANCH  15  16
ENDBRANCH   7  15
TORSDOF 8