REMARK  Name = BDB012316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.971  -1.625   0.692  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.631  -2.009   0.578  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        0.599  -3.361   0.858  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        1.925  -3.716   1.134  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        2.762  -2.687   1.043  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.463   1.110   0.464  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.912  -0.157   0.667  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.542  -0.325   0.482  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        1.737   0.705   0.106  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.298   1.918  -0.080  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        3.644   2.171   0.085  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.705   0.415   0.996  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.920   1.283   0.664  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.329   2.544   0.438  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.295   2.510   0.606  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.322  -1.126   0.258  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.639  -1.640   0.069  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.581  -0.530  -0.354  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1       -3.938  -0.604   0.012  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -4.786   0.420  -0.430  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1       -4.348   1.481  -1.212  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -5.504   2.263  -1.426  0.00  0.00    +0.142 A 
ATOM     23  N   LIG    1       -6.590   1.754  -0.838  0.00  0.00    -0.181 NA
ATOM     24  C   LIG    1       -2.997   1.545  -1.586  0.00  0.00    +0.012 A 
ATOM     25  N   LIG    1       -6.125   0.641  -0.242  0.00  0.00    -0.277 N 
ATOM     26  H   LIG    1       -6.777   0.070   0.284  0.00  0.00    +0.189 HD
ATOM     27  C   LIG    1       -2.130   0.532  -1.154  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6