REMARK  Name = BDB052420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.845   2.289  -1.520  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.745   1.304  -0.967  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.429   0.138  -0.338  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.137  -0.454  -0.049  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.128  -1.778   0.362  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.388  -2.606   0.403  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.682  -1.789   0.658  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.120  -2.276   0.625  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.244  -1.539   0.528  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.127  -0.259   0.136  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -0.047   0.319  -0.164  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -3.634  -0.466  -0.031  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.642   0.421  -0.501  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -4.076   1.498  -1.079  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -6.105   0.284  -0.415  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.904   0.748  -1.224  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.574  -0.386   0.688  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.573  -0.297   0.824  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -6.000  -0.420   1.518  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.235   0.576   0.013  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        1.918   1.490  -0.279  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.610   0.409   0.210  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1        4.455   1.510   0.000  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1        5.842   1.397   0.185  0.00  0.00    +0.128 A 
ATOM     25  C   LIG    1        6.413   0.185   0.582  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.584  -0.912   0.792  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.200  -0.797   0.608  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  N   LIG    1        6.700   2.565  -0.041  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        6.156   3.621  -0.395  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        7.920   2.429   0.135  0.00  0.00    -0.126 OA
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4