REMARK  Name = BDB056969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.684  -0.057   0.154  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.347  -1.417   0.143  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.991  -1.830   0.164  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.009  -0.869   0.222  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.701   0.492   0.246  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.356   0.887   0.205  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.323  -3.240   0.128  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.873  -4.133  -0.822  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -0.006  -4.038  -2.014  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -1.385  -5.364  -0.557  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -2.194  -5.302   0.561  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -2.161  -4.025   0.964  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -2.938  -3.606   2.154  0.00  0.00    +0.070 C 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  C   LIG    1        2.936   0.108  -0.983  0.00  0.00    +0.128 A 
ATOM     15  C   LIG    1        2.095   0.372   0.124  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.624   1.060   1.237  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        3.955   1.486   1.257  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        4.768   1.228   0.150  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        4.263   0.546  -0.961  0.00  0.00    +0.047 A 
BRANCH  17  20
ATOM     20  C   LIG    1        4.545   2.214   2.420  0.00  0.00    +0.160 C 
ATOM     21  O   LIG    1        5.702   2.625   2.360  0.00  0.00    -0.292 OA
ATOM     22  C   LIG    1        3.702   2.436   3.648  0.00  0.00    +0.091 C 
ENDBRANCH  17  20
BRANCH  14  23
ATOM     23  O   LIG    1        2.355  -0.551  -2.035  0.00  0.00    -0.492 OA
BRANCH  23  25
ATOM     24  C   LIG    1        3.264  -0.011  -4.213  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        3.168  -1.039  -3.100  0.00  0.00    +0.226 C 
ENDBRANCH  23  25
ENDBRANCH  14  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -2.665   1.516   0.302  0.00  0.00    -0.279 N 
ATOM     27  H   LIG    1       -2.329   2.474   0.271  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1       -4.041   1.400   0.409  0.00  0.00    +0.284 C 
ATOM     29  O   LIG    1       -4.660   0.345   0.496  0.00  0.00    -0.266 OA
BRANCH  28  30
ATOM     30  C   LIG    1       -4.708   2.690   0.422  0.00  0.00    +0.189 A 
ATOM     31  O   LIG    1       -3.959   3.838   0.341  0.00  0.00    -0.458 OA
ATOM     32  C   LIG    1       -4.826   4.884   0.374  0.00  0.00    +0.196 A 
ATOM     33  C   LIG    1       -6.121   4.435   0.476  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.047   3.022   0.508  0.00  0.00    +0.054 A 
ENDBRANCH  28  30
ENDBRANCH   5  26
TORSDOF 7