REMARK  Name = BDB057607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.083   0.088  -1.713  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.366   0.501  -2.006  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -1.604  -0.012  -3.317  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -2.776   0.209  -4.201  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1       -0.588  -0.772  -3.753  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        0.318  -0.684  -2.762  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        1.214  -1.148  -2.849  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.186   1.347  -1.158  0.00  0.00    +0.252 C 
ATOM      9  N   LIG    1       -3.515   0.979  -0.943  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -4.040  -0.368  -1.144  0.00  0.00    +0.132 C 
ATOM     11  O   LIG    1       -1.699   2.356  -0.647  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.397   1.935  -0.278  0.00  0.00    +0.142 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.618   1.635   1.188  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -3.597   1.857   2.123  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.798   1.574   3.475  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.022   1.068   3.907  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.045   0.844   2.989  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.846   1.127   1.636  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  19
ATOM     19  N   LIG    1        0.734   0.319  -0.660  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1        0.434   1.024   0.021  0.00  0.00    +0.176 HD
BRANCH  19  22
ATOM     21  C   LIG    1        2.684   0.193   0.429  0.00  0.00    +0.138 C 
ATOM     22  N   LIG    1        1.994  -0.189  -0.601  0.00  0.00    -0.189 NA
BRANCH  21  26
ATOM     23  C   LIG    1        6.704  -1.095   1.113  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        6.067  -0.228   2.006  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.754   0.192   1.781  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        4.071  -0.260   0.652  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1        4.699  -1.127  -0.246  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        6.015  -1.544  -0.015  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        8.683  -2.300   0.577  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        7.987  -1.424   1.455  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  21  26
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 7