REMARK  Name = BDB052287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.363   0.753  -0.355  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.080   0.446   0.150  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        3.952  -0.113   1.472  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.621  -0.312   1.704  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        1.978   0.113   0.561  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.969  -0.409   2.373  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        6.234  -0.090   1.841  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.853   0.543  -0.386  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.429   0.466   0.539  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.576   0.124   0.304  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -0.345  -0.336   1.253  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.716  -0.311   0.971  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.194   0.173  -0.255  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -1.265   0.631  -1.199  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        0.105   0.608  -0.925  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.678   0.208  -0.579  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.473   1.092   0.406  0.00  0.00    +0.089 C 
ATOM     18  N   LIG    1       -5.908   1.133   0.089  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -6.029   1.547  -0.836  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -6.483  -0.214   0.088  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -5.784  -1.134  -0.910  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -4.282  -1.204  -0.642  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  26
ATOM     23  N   LIG    1        6.700   0.922  -2.354  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        6.766   1.230  -3.317  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        7.171   0.064  -2.107  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        5.581   1.344  -1.684  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        4.831   2.169  -2.183  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3