REMARK  Name = BDB005994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.992  -2.385  -0.849  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.378  -2.000  -0.651  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1        2.979  -1.888   0.591  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        2.462  -2.119   1.668  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1        4.368  -1.437   0.374  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        4.523  -1.294  -1.017  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        5.727  -0.900  -1.578  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        6.796  -0.652  -0.721  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        6.644  -0.797   0.669  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        5.419  -1.189   1.250  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        3.254  -1.618  -1.735  0.00  0.00    +0.144 C 
BRANCH  10  12
ATOM     12  C   LIG    1        5.406  -1.294   2.737  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1        6.455  -1.287   3.376  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1        4.223  -1.378   3.404  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1        4.269  -1.555   4.398  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        3.342  -1.605   2.943  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
ENDBRANCH   1   2
BRANCH   1  20
ATOM     17  N   LIG    1       -2.020   0.679  -1.122  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.290   0.336  -2.338  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1        0.068  -0.284  -1.979  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        0.017  -1.204  -0.743  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -1.417  -1.696  -0.527  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -2.388  -0.520  -0.350  0.00  0.00    +0.085 C 
BRANCH  17  23
ATOM     23  C   LIG    1       -3.190   1.525  -1.405  0.00  0.00    +0.119 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -7.014   2.200   1.829  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.603   2.490   1.411  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -5.074   1.891   0.258  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.764   2.171  -0.161  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1       -2.989   3.071   0.588  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.513   3.681   1.726  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.816   3.396   2.134  0.00  0.00    +0.003 A 
ENDBRANCH  23  27
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 5