REMARK  Name = BDB004130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.127   1.992   0.928  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.112   0.865   0.634  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.007   1.503  -0.188  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        0.143   1.632   0.601  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.303   2.192   0.098  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.293   2.634  -1.228  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.140   2.512  -2.022  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1       -0.093   1.105   1.881  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -1.025   1.944  -1.503  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.363   0.528   1.962  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1       -1.821  -0.104   2.905  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  12
ATOM     12  N   LIG    1       -2.728  -0.355   0.049  0.00  0.00    -0.263 N 
ATOM     13  C   LIG    1       -1.928  -1.309  -0.565  0.00  0.00    +0.310 C 
ATOM     14  O   LIG    1       -0.706  -1.252  -0.663  0.00  0.00    -0.252 OA
ATOM     15  N   LIG    1       -2.568  -2.386  -1.121  0.00  0.00    -0.236 N 
ATOM     16  H   LIG    1       -1.845  -2.975  -1.518  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1       -3.533  -2.224  -2.075  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1       -3.423  -2.727  -3.189  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -4.757  -1.456  -1.734  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1       -4.981  -0.855  -0.556  0.00  0.00    -0.003 C 
ATOM     21  C   LIG    1       -4.006  -0.816   0.574  0.00  0.00    +0.138 C 
ENDBRANCH   2  12
BRANCH   8  22
ATOM     22  C   LIG    1        0.920   0.945   2.904  0.00  0.00    +0.234 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.882  -0.221   2.699  0.00  0.00    +0.325 C 
ATOM     24  O   LIG    1        2.858  -0.410   3.420  0.00  0.00    -0.249 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.526  -1.002   1.651  0.00  0.00    -0.459 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.465  -2.005   1.257  0.00  0.00    +0.267 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.423  -1.421   0.251  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        2.961  -1.017  -1.010  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.837  -0.457  -1.940  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.182  -0.291  -1.618  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.651  -0.681  -0.364  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        4.775  -1.241   0.568  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 6