REMARK  Name = BDB039431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.131   0.150  -0.039  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.207   0.971   0.370  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.500   0.472   0.344  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.784   1.137   0.701  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.756   0.066   0.528  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.184  -1.073  -0.012  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        4.734  -2.087  -0.391  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.740  -0.827  -0.088  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        1.732  -1.666  -0.512  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.424  -1.167  -0.486  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -6.241   2.345   0.069  0.00  0.00    +0.149 C 
ATOM     12  N   LIG    1       -4.835   2.633  -0.104  0.00  0.00    -0.348 N 
ATOM     13  C   LIG    1       -3.780   1.740  -0.007  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1       -2.627   2.494  -0.257  0.00  0.00    +0.090 A 
ATOM     15  N   LIG    1       -1.372   1.992  -0.258  0.00  0.00    -0.245 NA
ATOM     16  C   LIG    1       -1.256   0.673  -0.012  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -2.354  -0.140   0.262  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.004   3.832  -0.498  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -3.675   0.361   0.270  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1       -4.372   3.894  -0.398  0.00  0.00    +0.088 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.800  -0.605   0.578  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.831  -1.740  -0.361  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.992  -2.616  -0.081  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -6.798  -1.873  -1.156  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -5.441  -1.360  -1.657  0.00  0.00    +0.086 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1        6.186   0.313   0.671  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        6.852   0.392  -0.702  0.00  0.00    +0.240 C 
ATOM     28  O   LIG    1        6.568   1.267  -1.520  0.00  0.00    -0.273 OA
ATOM     29  N   LIG    1        7.755  -0.592  -1.016  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        8.169  -0.531  -1.935  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        8.092  -1.705  -0.292  0.00  0.00    +0.219 C 
ATOM     32  O   LIG    1        8.909  -2.511  -0.732  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1        7.410  -1.904   1.038  0.00  0.00    +0.098 C 
ATOM     34  C   LIG    1        6.919  -0.604   1.648  0.00  0.00    +0.041 C 
ENDBRANCH   5  26
TORSDOF 4