REMARK  Name = BDB047660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.454  -1.801   1.631  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.555  -1.171   0.754  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.712  -0.766   1.228  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -1.037  -1.020   2.560  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.309  -0.540   2.768  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.804  -0.591   3.647  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.818   0.018   1.622  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.056   0.623   1.370  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.244   0.828   2.267  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.022   1.899   1.491  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.702   1.688   0.003  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -4.326   1.111   0.084  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -3.381   0.977  -0.900  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -3.423   1.378  -2.312  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -4.347   1.920  -2.884  0.00  0.00    -0.270 OA
ATOM     16  N   LIG    1       -2.213   1.019  -2.863  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -2.012   1.189  -3.839  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -1.329   0.381  -1.921  0.00  0.00    +0.141 C 
ATOM     19  C   LIG    1       -2.136   0.377  -0.656  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1       -0.165  -1.661   3.447  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.837  -0.115   0.629  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        1.086  -2.050   2.957  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  25
ATOM     23  N   LIG    1        3.337  -1.570   0.103  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        2.961  -0.665  -0.156  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        2.805  -2.243   1.179  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        3.397  -3.138   1.772  0.00  0.00    -0.270 OA
BRANCH  23  27
ATOM     27  C   LIG    1        4.707  -1.792  -0.320  0.00  0.00    +0.120 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.991  -1.082  -1.656  0.00  0.00    +0.102 C 
BRANCH  28  30
ATOM     29  C   LIG    1        4.603   0.843  -3.056  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        4.522   0.326  -1.686  0.00  0.00    -0.307 NA
ATOM     31  C   LIG    1        5.324   1.173  -0.797  0.00  0.00    +0.104 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH   1  25
TORSDOF 4