REMARK  Name = BDB007744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.438  -2.143  -2.178  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.800  -1.563   0.258  0.00  0.00    -0.269 OA
ATOM      3  C   LIG    1        2.226  -1.097  -0.789  0.00  0.00    +0.263 C 
ATOM      4  N   LIG    1        1.556  -1.240  -1.992  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        2.085  -0.930  -2.805  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.521  -0.314  -0.910  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        4.339   0.019   0.200  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        5.514   0.750  -0.099  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        6.392   1.130   0.931  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        6.129   0.800   2.259  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.983   0.085   2.575  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.805   1.097  -1.422  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.935   0.720  -2.426  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1        4.100  -0.301   1.563  0.00  0.00    +0.011 A 
ATOM     15  N   LIG    1        3.805   0.027  -2.210  0.00  0.00    -0.250 NA
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.801  -1.856  -1.317  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.867  -2.724  -1.742  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -2.681  -2.286  -1.416  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.285  -0.395  -1.444  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.601  -0.186  -0.786  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.469  -0.251   0.688  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -3.721   0.163   1.434  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.713   0.940   0.811  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.848   1.331   1.533  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.987   0.977   2.874  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.997   0.224   3.501  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.581   1.294  -0.647  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -3.868  -0.179   2.787  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.146   1.132  -1.162  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6