REMARK  Name = BDB047469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.546   0.482  -1.755  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        6.795   0.167  -0.626  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        5.456   0.583  -0.509  0.00  0.00    +0.139 A 
ATOM      4  O   LIG    1        4.869   0.207   0.677  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1        3.587  -0.292   0.612  0.00  0.00    +0.247 A 
ATOM      6  C   LIG    1        2.538   0.540   0.250  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1        2.753   1.855  -0.216  0.00  0.00    -0.333 N 
ATOM      8  H   LIG    1        1.881   2.380  -0.223  0.00  0.00    +0.147 HD
ATOM      9  C   LIG    1        3.441   1.880  -1.502  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1        1.270  -0.048   0.334  0.00  0.00    +0.151 A 
ATOM     11  N   LIG    1        1.089  -1.305   0.779  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        2.186  -1.992   1.127  0.00  0.00    +0.227 A 
ATOM     13  N   LIG    1        3.444  -1.551   1.066  0.00  0.00    -0.199 NA
ATOM     14  C   LIG    1        4.858   1.360  -1.511  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        5.631   1.661  -2.651  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        6.954   1.229  -2.769  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        9.492  -0.639  -0.976  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.845   0.126  -1.987  0.00  0.00    -0.495 OA
ENDBRANCH   1  18
BRANCH  10  19
ATOM     19  N   LIG    1        0.150   0.721  -0.096  0.00  0.00    -0.295 N 
ATOM     20  H   LIG    1        0.338   1.051  -1.037  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.209   0.428   0.104  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -1.724  -0.303   1.157  0.00  0.00    +0.139 A 
ATOM     23  N   LIG    1       -3.043  -0.508   1.379  0.00  0.00    -0.221 NA
ATOM     24  C   LIG    1       -3.899   0.064   0.531  0.00  0.00    +0.222 A 
ATOM     25  N   LIG    1       -3.527   0.825  -0.510  0.00  0.00    -0.221 NA
ATOM     26  C   LIG    1       -2.197   0.997  -0.682  0.00  0.00    +0.139 A 
BRANCH  24  27
ATOM     27  N   LIG    1       -5.271  -0.088   0.651  0.00  0.00    -0.250 N 
ATOM     28  H   LIG    1       -5.777   0.420  -0.054  0.00  0.00    +0.158 HD
ATOM     29  C   LIG    1       -5.929  -0.755   1.652  0.00  0.00    +0.250 C 
ATOM     30  O   LIG    1       -5.436  -1.288   2.639  0.00  0.00    -0.270 OA
BRANCH  29  31
ATOM     31  C   LIG    1       -7.414  -0.780   1.509  0.00  0.00    +0.037 A 
ATOM     32  C   LIG    1       -8.196  -0.753   2.671  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1       -9.588  -0.772   2.581  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1      -10.205  -0.827   1.331  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -9.432  -0.873   0.171  0.00  0.00    +0.001 A 
ATOM     36  C   LIG    1       -8.038  -0.854   0.256  0.00  0.00    +0.013 A 
ENDBRANCH  29  31
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH  10  19
TORSDOF 5