REMARK  Name = BDB057943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.624   0.254   0.433  0.00  0.00    +0.208 A 
ATOM      2  N   LIG    1        1.016   0.466  -0.811  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -0.324   0.740  -0.565  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1       -0.454   0.610   0.814  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -1.706   0.796   1.421  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.825   1.092   0.625  0.00  0.00    -0.031 A 
ATOM      7  C   LIG    1       -2.672   1.194  -0.765  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.431   1.008  -1.387  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        0.737   0.292   1.399  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1        1.649   0.409  -2.085  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.564  -0.617  -2.367  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        3.201  -0.660  -3.608  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        2.925   0.311  -4.569  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        2.007   1.325  -4.295  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        1.365   1.375  -3.056  0.00  0.00    +0.026 A 
ENDBRANCH   2  10
BRANCH   1  18
ATOM     16  O   LIG    1        3.060  -0.126   2.909  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        3.594  -0.064   1.810  0.00  0.00    +0.250 C 
ATOM     18  N   LIG    1        2.993   0.114   0.581  0.00  0.00    -0.252 N 
ATOM     19  H   LIG    1        3.564   0.272  -0.236  0.00  0.00    +0.158 HD
BRANCH  17  20
ATOM     20  C   LIG    1        5.082  -0.170   1.762  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        5.743  -0.798   0.699  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        7.143  -0.872   0.710  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1        7.885  -0.338   1.772  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        7.218   0.269   2.837  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.823   0.348   2.833  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  N   LIG    1        7.838  -1.518  -0.410  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        9.062  -1.683  -0.315  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        7.155  -1.851  -1.390  0.00  0.00    -0.126 OA
ENDBRANCH  22  26
ENDBRANCH  17  20
ENDBRANCH   1  18
BRANCH   6  29
ATOM     29  C   LIG    1       -4.179   1.309   1.269  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.235   0.448   0.714  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -6.564   0.939   1.114  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -7.666  -0.129   1.071  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -7.380  -1.183   0.012  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -6.015  -1.834   0.244  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -5.058  -0.962   1.068  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH   6  29
TORSDOF 6