REMARK  Name = BDB013079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.036   2.755  -0.264  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -2.059   2.523   1.113  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -0.990   2.010   1.807  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -1.329   1.861   3.072  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -2.616   2.329   3.224  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.200   1.752   1.072  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.163   2.074  -0.241  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -3.026   2.749   2.048  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -0.928   2.567  -0.930  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.445   1.208   1.655  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.172   0.177   1.032  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.355  -0.341   1.583  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        3.746   0.258   2.785  0.00  0.00    +0.133 A 
ATOM     14  N   LIG    1        3.081   1.245   3.438  0.00  0.00    -0.261 NA
ATOM     15  C   LIG    1        1.940   1.684   2.863  0.00  0.00    +0.119 A 
BRANCH  12  16
ATOM     16  N   LIG    1        4.074  -1.347   0.954  0.00  0.00    -0.326 N 
ATOM     17  C   LIG    1        3.393  -2.324   0.083  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1        4.075  -3.710   0.136  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1        5.515  -3.724  -0.171  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1        5.648  -3.813  -1.178  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        6.172  -2.479   0.272  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1        5.437  -1.700   1.387  0.00  0.00    +0.120 C 
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  23
ATOM     23  N   LIG    1       -3.156   3.198  -0.936  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.859   3.440  -1.881  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.353   2.365  -1.032  0.00  0.00    +0.140 C 
BRANCH  25  33
ATOM     26  C   LIG    1       -3.968   0.314  -4.240  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.647  -0.952  -3.754  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -3.585  -1.119  -2.387  0.00  0.00    +0.124 A 
ATOM     29  O   LIG    1       -3.271  -2.309  -1.780  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -3.621  -2.083  -0.396  0.00  0.00    +0.234 C 
ATOM     31  C   LIG    1       -3.590  -0.581  -0.121  0.00  0.00    +0.080 C 
ATOM     32  C   LIG    1       -3.818  -0.077  -1.498  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -4.135   1.198  -1.959  0.00  0.00    -0.024 A 
ATOM     34  C   LIG    1       -4.210   1.377  -3.354  0.00  0.00    +0.005 A 
ENDBRANCH  25  33
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 5