REMARK  Name = BDB046291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.681   0.080   1.350  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        2.169   1.084   0.516  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        3.381   0.893  -0.146  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        3.888   1.891  -0.990  0.00  0.00    -0.320 N 
ATOM      5  H   LIG    1        3.376   2.754  -1.125  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        5.075   1.779  -1.677  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        5.853   0.520  -1.504  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.364  -0.495  -0.661  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        6.130  -1.666  -0.527  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        7.341  -1.817  -1.209  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        7.810  -0.801  -2.039  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.068   0.370  -2.188  0.00  0.00    +0.014 A 
ATOM     13  O   LIG    1        5.474   2.684  -2.402  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        4.088  -0.298   0.036  0.00  0.00    +0.095 A 
ATOM     15  N   LIG    1        3.638  -1.290   0.843  0.00  0.00    -0.251 NA
ATOM     16  C   LIG    1        2.456  -1.075   1.471  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -0.447   1.198   2.067  0.00  0.00    +0.231 C 
ATOM     18  N   LIG    1        0.470   0.156   2.072  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        0.227  -0.656   2.627  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -0.344   2.240   1.425  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -1.665   0.929   2.968  0.00  0.00    +0.180 C 
BRANCH  21  25
ATOM     22  N   LIG    1       -3.780  -0.075  -0.592  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1       -3.247   1.242  -0.190  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -3.387   1.570   1.317  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1       -2.874   0.531   2.231  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1       -2.780  -0.785   1.584  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1       -3.902  -1.002   0.543  0.00  0.00    +0.100 C 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.269  -1.367  -2.103  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -4.949   0.000  -1.484  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -6.211   0.593  -0.846  0.00  0.00    +0.024 C 
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 4