REMARK  Name = BDB023067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.053  -0.928   1.542  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1       -0.488   0.485   1.782  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.565   0.630   0.717  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.081  -0.804   0.590  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -0.886  -1.627   0.692  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.867  -0.477   0.192  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        4.881  -0.307   1.008  0.00  0.00    +0.200 A 
ATOM      8  C   LIG    1        3.525  -0.694   0.652  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        3.042  -1.262  -0.499  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        1.750  -1.406  -0.284  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1        1.375  -0.938   0.947  0.00  0.00    -0.286 N 
ATOM     12  C   LIG    1        2.507  -0.486   1.570  0.00  0.00    +0.168 A 
ATOM     13  N   LIG    1        2.569   0.055   2.821  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        3.799   0.388   3.104  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        4.890   0.231   2.280  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1        5.806   0.523   2.592  0.00  0.00    +0.168 HD
BRANCH   6  17
ATOM     17  O   LIG    1        7.061  -0.016   0.779  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1        8.171   0.959  -1.135  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        8.129  -0.197  -0.154  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -1.111   0.586   3.082  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.381   0.606   3.731  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -2.554   1.563   1.133  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.579   1.510   2.111  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.822  -1.129  -0.739  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -3.221  -2.618  -0.785  0.00  0.00    +0.049 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.062  -0.261  -0.957  0.00  0.00    -0.013 A 
ATOM     27  C   LIG    1       -4.160   0.615  -2.054  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -5.293   1.422  -2.264  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1       -5.335   2.342  -3.451  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -6.350   1.343  -1.349  0.00  0.00    +0.044 A 
ATOM     31 CL   LIG    1       -7.779   2.297  -1.530  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -6.275   0.481  -0.255  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -5.142  -0.314  -0.060  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
BRANCH  24  34
ATOM     34  O   LIG    1       -1.889  -0.941  -1.820  0.00  0.00    -0.382 OA
ATOM     35  H   LIG    1       -1.170  -1.581  -1.672  0.00  0.00    +0.211 HD
ENDBRANCH  24  34
ENDBRANCH   4  24
TORSDOF 8