REMARK  Name = BDB063793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.531  -2.139   0.730  0.00  0.00    -0.091 C 
ATOM      2  N   LIG    1       -0.515  -1.395  -0.601  0.00  0.00    +0.381 N 
ATOM      3  C   LIG    1       -0.345   0.176  -0.427  0.00  0.00    -0.030 C 
ATOM      4  C   LIG    1       -1.661   0.904  -0.102  0.00  0.00    -0.053 A 
ATOM      5  C   LIG    1       -2.916   0.260  -0.170  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1       -4.097   0.959   0.145  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -4.046   2.305   0.466  0.00  0.00    +0.158 A 
ATOM      8  C   LIG    1       -2.828   2.960   0.503  0.00  0.00    +0.158 A 
ATOM      9  C   LIG    1       -3.042  -1.179  -0.583  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -1.652   2.284   0.195  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.828  -1.654  -1.366  0.00  0.00    -0.070 C 
ATOM     12  C   LIG    1        0.605  -1.983  -1.470  0.00  0.00    -0.091 C 
ENDROOT
BRANCH   8  13
ATOM     13  O   LIG    1       -2.742   4.273   0.860  0.00  0.00    -0.503 OA
ATOM     14  H   LIG    1       -3.456   4.444   1.503  0.00  0.00    +0.292 HD
ENDBRANCH   8  13
BRANCH   7  15
ATOM     15  O   LIG    1       -5.212   2.967   0.699  0.00  0.00    -0.503 OA
ATOM     16  H   LIG    1       -5.133   3.848   0.289  0.00  0.00    +0.292 HD
ENDBRANCH   7  15
BRANCH   3  17
ATOM     17  C   LIG    1        0.797   0.542   0.585  0.00  0.00    +0.025 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.214   0.247   0.147  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1        3.045  -0.564   0.937  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        4.337  -0.864   0.509  0.00  0.00    +0.158 A 
ATOM     21  C   LIG    1        4.825  -0.341  -0.686  0.00  0.00    +0.158 A 
ATOM     22  C   LIG    1        4.032   0.507  -1.453  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        2.733   0.806  -1.034  0.00  0.00    +0.007 A 
BRANCH  20  24
ATOM     24  O   LIG    1        5.128  -1.690   1.254  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1        4.893  -1.603   2.191  0.00  0.00    +0.292 HD
ENDBRANCH  20  24
BRANCH  21  26
ATOM     26  O   LIG    1        6.091  -0.658  -1.085  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        6.343  -0.117  -1.850  0.00  0.00    +0.292 HD
ENDBRANCH  21  26
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 6