REMARK  Name = BDB047811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.377   0.937  -1.109  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1       -2.334   1.929  -1.145  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.694   3.030  -0.587  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.378   4.249  -0.475  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.699   4.324  -0.930  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.325   3.208  -1.486  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -0.416   2.716  -0.215  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1       -3.655   1.984  -1.608  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.242   1.447  -0.500  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   9  10
ATOM     10  N   LIG    1        0.876   0.680  -0.242  0.00  0.00    -0.252 N 
ATOM     11  H   LIG    1        0.804  -0.324  -0.357  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1        2.001   1.195   0.371  0.00  0.00    +0.250 C 
ATOM     13  O   LIG    1        2.208   2.352   0.716  0.00  0.00    -0.270 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.070   0.192   0.655  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        3.305  -0.904  -0.186  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        4.325  -1.811   0.138  0.00  0.00    +0.127 A 
ATOM     17  C   LIG    1        5.116  -1.629   1.281  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.889  -0.525   2.103  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        3.874   0.382   1.789  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  N   LIG    1        4.569  -2.965  -0.737  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        5.480  -3.744  -0.426  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        3.845  -3.092  -1.735  0.00  0.00    -0.126 OA
ENDBRANCH  16  20
ENDBRANCH  12  14
ENDBRANCH   9  10
BRANCH   1  23
ATOM     23  C   LIG    1       -1.518  -0.373  -1.711  0.00  0.00    +0.245 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.354  -1.478  -0.709  0.00  0.00    +0.327 C 
ATOM     25  O   LIG    1       -0.258  -1.836  -0.287  0.00  0.00    -0.249 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -2.556  -1.981  -0.325  0.00  0.00    -0.464 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -2.483  -2.386   2.061  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -2.518  -3.008   0.678  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7