REMARK  Name = BDB007589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.753  -3.235   0.115  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.473  -2.247   0.237  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -2.245  -1.083  -0.463  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -2.695  -0.242  -0.125  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.597  -2.235   1.160  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -4.657  -1.346   1.305  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1       -5.405  -1.837   2.347  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1       -6.264  -1.452   2.724  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -4.929  -2.970   2.882  0.00  0.00    -0.181 NA
ATOM     10  C   LIG    1       -3.838  -3.216   2.156  0.00  0.00    +0.147 A 
BRANCH   6  11
ATOM     11  C   LIG    1       -5.070  -0.153   0.582  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.462  -0.241  -0.759  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -5.853   0.904  -1.456  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.854   2.142  -0.816  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.465   2.238   0.519  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.074   1.094   1.218  0.00  0.00    +0.010 A 
ENDBRANCH   6  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -1.031  -0.894  -1.235  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.099  -0.307  -0.367  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.344   0.981   0.104  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.322   1.598  -0.647  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        1.405  -0.182  -1.193  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.649  -0.038  -0.409  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.810  -0.039  -1.325  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.137   0.242  -0.655  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        5.194   0.868   0.601  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.436   1.148   1.186  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.618   0.833   0.515  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.566   0.230  -0.739  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.921   1.170   1.344  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.333  -0.062  -1.323  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        2.680   1.163   0.437  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7