REMARK  Name = BDB060713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.393  -0.933   0.536  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -0.762  -2.180   0.305  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1        0.556  -2.071  -0.157  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.279  -3.221  -0.433  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.739  -4.493  -0.258  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.560  -4.629   0.211  0.00  0.00    +0.046 A 
ATOM      7  N   LIG    1        1.176  -0.906  -0.351  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        0.498   0.213  -0.104  0.00  0.00    +0.217 A 
ATOM      9  C   LIG    1       -1.319  -3.490   0.493  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1       -0.758   0.239   0.330  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.746  -0.905   0.943  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -3.022  -1.781   1.377  0.00  0.00    +0.155 HD
BRANCH  11  17
ATOM     13  C   LIG    1       -4.622   2.094   1.052  0.00  0.00    +0.038 A 
ATOM     14  N   LIG    1       -5.349   1.157   1.729  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -6.251   1.271   2.178  0.00  0.00    +0.189 HD
ATOM     16  N   LIG    1       -4.769  -0.051   1.774  0.00  0.00    -0.158 NA
ATOM     17  C   LIG    1       -3.614   0.110   1.120  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1       -3.484   1.434   0.641  0.00  0.00    +0.068 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -5.924   3.649  -0.387  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -5.079   3.495   0.868  0.00  0.00    +0.051 C 
ENDBRANCH  13  20
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   8  21
ATOM     21  N   LIG    1        1.089   1.457  -0.287  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        0.511   2.099   0.246  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.513   1.522   0.016  0.00  0.00    +0.109 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.362   1.229  -1.226  0.00  0.00    +0.054 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.838   1.338  -0.927  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        5.530   2.531  -1.171  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.890   2.632  -0.873  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.568   1.543  -0.326  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.887   0.353  -0.077  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.528   0.250  -0.374  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   9  31
ATOM     31  O   LIG    1       -2.598  -3.546   0.995  0.00  0.00    -0.494 OA
ATOM     32  C   LIG    1       -3.271  -4.800   0.957  0.00  0.00    +0.277 C 
ENDBRANCH   9  31
TORSDOF 8