REMARK  Name = BDB007712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.805  -2.960   1.429  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        0.941  -3.516  -1.294  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        1.426  -2.457  -0.899  0.00  0.00    +0.246 C 
ATOM      4  N   LIG    1        1.479  -2.138   0.439  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        1.445  -1.142   0.638  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        1.880  -1.409  -1.809  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        2.757  -0.289  -1.591  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        2.824   0.427  -2.790  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        3.579   1.598  -2.939  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        4.302   2.052  -1.835  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.277   1.355  -0.631  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        2.049  -0.240  -3.708  0.00  0.00    -0.360 N 
ATOM     13  H   LIG    1        1.923   0.048  -4.669  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1        3.517   0.187  -0.498  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        1.491  -1.347  -3.137  0.00  0.00    +0.096 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.713  -2.693   1.509  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.385  -2.945   0.271  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.770  -3.436  -0.314  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.060  -1.280   2.054  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -0.377  -0.146   1.384  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -1.020   0.213   0.098  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.311   0.998   0.215  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -2.612   1.731   1.376  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -3.795   2.479   1.440  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.665   2.517   0.351  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.362   1.804  -0.807  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.701   1.657   2.574  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -3.190   1.051  -0.876  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.329   1.057   2.235  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6