REMARK  Name = BDB004078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.364   0.302   1.075  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1       -2.166  -0.321   2.040  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -1.750  -0.945   3.018  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.672  -0.181   1.917  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -4.194   0.164   0.517  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1       -5.684   0.512   0.704  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1       -6.061   1.495   1.338  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1       -6.594  -0.377   0.201  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1       -7.501  -0.271   0.644  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1       -6.843  -0.423  -1.147  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -7.988  -0.621  -1.550  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.718  -0.077  -2.096  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -4.420  -0.840  -1.879  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -3.987  -1.044  -0.427  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1       -3.436   1.424   0.108  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -1.934   1.200   0.060  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        2.881  -0.420   0.780  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        2.074  -1.242   1.566  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        0.693  -1.006   1.666  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        0.069   0.057   0.994  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1        0.902   0.864   0.194  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.285   0.636   0.090  0.00  0.00    +0.017 A 
BRANCH  17  23
ATOM     23  C   LIG    1        4.338  -0.713   0.707  0.00  0.00    +0.340 C 
ATOM     24  O   LIG    1        4.858  -1.659   1.275  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        4.960   0.210  -0.064  0.00  0.00    -0.455 OA
BRANCH  25  27
ATOM     26  C   LIG    1        6.783  -1.139  -1.026  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.393   0.145  -0.286  0.00  0.00    +0.106 C 
ATOM     28  C   LIG    1        6.700   1.347  -1.193  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        7.168   0.310   1.026  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 4