REMARK  Name = BDB051310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.521  -1.544  -0.360  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.515  -1.166   0.228  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -4.466  -0.337  -0.441  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -4.589  -0.127  -1.815  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -3.662   0.651  -2.501  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.618   1.218  -1.764  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.448   1.034  -0.386  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -1.276   1.793  -0.016  0.00  0.00    -0.021 A 
ATOM      9  C   LIG    1       -0.802   2.397  -1.167  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -1.609   2.041  -2.206  0.00  0.00    -0.360 N 
ATOM     11  H   LIG    1       -1.504   2.351  -3.162  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -3.393   0.221   0.308  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -3.372  -0.025   1.801  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1       -4.005  -1.365   2.148  0.00  0.00    +0.109 C 
ATOM     15  N   LIG    1       -5.307  -1.495   1.545  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -5.972  -2.165   1.911  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  17
ATOM     17  C   LIG    1       -0.647   1.957   1.338  0.00  0.00    +0.056 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.319   0.826   1.700  0.00  0.00    +0.109 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.491   0.786   0.843  0.00  0.00    -0.315 N 
ATOM     20  H   LIG    1        1.335   0.934  -0.146  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        2.605   0.059   1.213  0.00  0.00    +0.216 C 
ATOM     22  O   LIG    1        2.732  -0.450   2.321  0.00  0.00    -0.276 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.665  -0.027   0.120  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1        3.136  -0.796  -1.105  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1        4.147  -1.801  -1.657  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1        5.478  -1.212  -1.760  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1        5.448  -0.416  -2.396  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        6.002  -0.776  -0.462  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        4.956  -0.658   0.647  0.00  0.00    +0.028 C 
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   8  17
TORSDOF 4