REMARK  Name = BDB052913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.477  -1.592   3.469  0.00  0.00    +0.062 C 
ATOM      2  C   LIG    1       -0.521  -1.118   2.441  0.00  0.00    +0.034 C 
ATOM      3  C   LIG    1        0.024  -0.534   1.156  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1       -1.016  -0.680   0.031  0.00  0.00    +0.174 C 
ATOM      5  N   LIG    1       -2.381  -0.512   0.516  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.693  -0.762   1.839  0.00  0.00    +0.232 A 
ATOM      7  N   LIG    1       -3.977  -0.568   2.042  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1       -4.525  -0.320   0.813  0.00  0.00    +0.091 A 
ATOM      9  C   LIG    1       -5.869  -0.105   0.471  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -6.206   0.058  -0.876  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.225  -0.002  -1.865  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.878  -0.207  -1.541  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.552  -0.339  -0.183  0.00  0.00    +0.071 A 
ATOM     14  N   LIG    1       -1.779  -1.206   2.734  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   4  15
ATOM     15  C   LIG    1       -0.671   0.178  -1.148  0.00  0.00    +0.129 A 
ATOM     16  O   LIG    1        0.126  -0.406  -2.091  0.00  0.00    -0.466 OA
ATOM     17  C   LIG    1        0.352   0.523  -3.055  0.00  0.00    +0.195 A 
ATOM     18  C   LIG    1       -0.277   1.704  -2.743  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -0.932   1.488  -1.508  0.00  0.00    +0.047 A 
ENDBRANCH   4  15
BRANCH   3  20
ATOM     20  C   LIG    1        0.438   0.913   1.371  0.00  0.00    +0.228 C 
ATOM     21  N   LIG    1        1.616   1.415   0.899  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        1.581   2.430   0.872  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -0.339   1.718   1.892  0.00  0.00    -0.275 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.791   0.828   0.409  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        3.559   1.599  -0.474  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        4.754   1.106  -1.008  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        5.200  -0.164  -0.633  0.00  0.00    +0.126 A 
ATOM     28  C   LIG    1        4.467  -0.927   0.282  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        3.270  -0.422   0.808  0.00  0.00    +0.025 A 
BRANCH  27  30
ATOM     30  N   LIG    1        6.453  -0.692  -1.187  0.00  0.00    +0.056 N 
ATOM     31  O   LIG    1        6.817  -1.817  -0.815  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        7.070   0.017  -1.995  0.00  0.00    -0.126 OA
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 4