REMARK  Name = BDB061325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086  -0.378   1.105  0.00  0.00    +0.264 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.958   0.693  -0.022  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -3.727  -0.083   1.111  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.420  -0.437   1.470  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.326  -0.016   0.704  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -1.564   0.783  -0.421  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.868   1.134  -0.776  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -5.168   1.134  -0.473  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -7.463   1.164  -0.997  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -6.395   0.470  -0.132  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.385  -1.019  -0.502  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -6.828   0.708   1.325  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1       -7.573  -0.021   1.964  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.311   1.850   1.848  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1       -5.701   2.280   1.210  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  O   LIG    1        0.750  -0.958  -0.018  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.064  -1.299   0.143  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.667  -1.838  -0.996  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        4.008  -2.228  -0.974  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        4.772  -2.067   0.184  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        4.157  -1.556   1.332  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.812  -1.164   1.312  0.00  0.00    +0.048 A 
BRANCH  20  23
ATOM     23  N   LIG    1        6.113  -2.494   0.221  0.00  0.00    -0.149 NA
ATOM     24  N   LIG    1        7.048  -1.695  -0.049  0.00  0.00    -0.149 NA
BRANCH  24  25
ATOM     25  C   LIG    1        6.773  -0.360  -0.401  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1        6.586  -0.002  -1.742  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        6.351   1.329  -2.095  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.322   2.315  -1.110  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.536   1.975   0.225  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        6.770   0.643   0.575  0.00  0.00    +0.029 A 
ENDBRANCH  24  25
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9