REMARK  Name = BDB007991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769   2.856   0.607  0.00  0.00    +0.180 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.219   1.809   0.984  0.00  0.00    -0.294 NA
ATOM      3  C   LIG    1        1.549   2.396   1.200  0.00  0.00    +0.085 C 
ATOM      4  C   LIG    1        2.315   2.713  -0.086  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1        2.333   1.530  -1.060  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1        1.611   0.301  -0.502  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        0.222   0.704   0.001  0.00  0.00    +0.085 C 
BRANCH   5   8
ATOM      8  C   LIG    1        3.729   1.262  -1.616  0.00  0.00    +0.166 C 
ATOM      9  O   LIG    1        4.126   1.849  -2.623  0.00  0.00    -0.292 OA
BRANCH   8  10
ATOM     10  C   LIG    1        4.654   0.299  -0.964  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        5.390  -0.558  -1.797  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        6.266  -1.452  -1.206  0.00  0.00    -0.002 A 
ATOM     13  C   LIG    1        7.107  -2.501  -1.822  0.00  0.00    +0.080 C 
ATOM     14  C   LIG    1        7.987  -2.843  -0.618  0.00  0.00    +0.234 C 
ATOM     15  O   LIG    1        7.306  -2.445   0.597  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1        6.413  -1.497   0.171  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1        5.707  -0.661   1.010  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        4.825   0.257   0.433  0.00  0.00    +0.015 A 
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  O   LIG    1       -3.159   2.818   0.189  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -2.211   2.377   0.829  0.00  0.00    +0.227 C 
ATOM     21  N   LIG    1       -2.349   1.450   1.841  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -1.511   1.278   2.390  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.652   1.071   2.356  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.352   0.060   1.457  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -3.530  -0.780   0.756  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -2.536  -0.606   0.756  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.003  -1.695  -0.134  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -3.265  -2.348  -0.862  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -5.469  -1.827  -0.162  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -6.069  -2.867  -1.049  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -7.463  -3.080  -0.768  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -8.174  -1.845  -0.649  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -7.689  -1.077   0.580  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -6.185  -0.994   0.610  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -5.644  -0.030   1.428  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 6