REMARK  Name = BDB053440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.625   0.515  -2.399  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -0.908   0.376  -1.155  0.00  0.00    -0.242 N 
ATOM      3  C   LIG    1       -1.420   0.328   0.104  0.00  0.00    +0.190 C 
ATOM      4  N   LIG    1       -0.529   0.218   1.045  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1        0.686   0.189   0.393  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        1.856   0.074   1.033  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        0.454   0.287  -1.078  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1        1.267   0.282  -1.982  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.185   0.037   0.420  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.724   1.175  -0.197  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.991   1.078  -0.733  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.665   2.076  -1.365  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.889   1.398  -1.714  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.942   0.031  -1.254  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.720  -0.087  -0.668  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        5.224  -1.220  -0.062  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        3.941  -1.152   0.491  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1       -2.767   0.392   0.312  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -3.362   0.217  -0.485  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.365   0.121   1.612  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -3.518  -1.378   1.847  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -4.769  -1.766   1.064  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.634  -0.508   1.003  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.811   0.612   1.638  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 3