REMARK  Name = BDB050279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.557   1.208   1.137  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        1.190   1.041   0.871  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.351   0.422   1.807  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        0.886  -0.050   3.010  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.246   0.112   3.280  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.076   0.738   2.350  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.095   0.251   1.479  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1       -1.439   0.116   0.231  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1       -2.094   0.235   2.620  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1       -2.826  -0.063   0.100  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.144  -0.209  -1.283  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.632  -0.396  -1.418  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -5.192  -1.681  -1.407  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -6.573  -1.852  -1.517  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.407  -0.742  -1.630  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.863   0.541  -1.629  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.482   0.714  -1.519  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        3.463   1.856   0.113  0.00  0.00    +0.078 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.001   0.847  -0.916  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.612   1.616  -2.094  0.00  0.00    +0.334 C 
ATOM     21  O   LIG    1        4.450   2.796  -2.367  0.00  0.00    -0.248 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.362   0.845  -2.911  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1        5.688   1.470  -3.591  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  O   LIG    1        4.982   0.026  -0.266  0.00  0.00    -0.365 OA
BRANCH  24  26
ATOM     25  C   LIG    1        3.946  -2.146   0.043  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        4.985  -1.330  -0.708  0.00  0.00    +0.157 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10