REMARK  Name = BDB045052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.260   2.020   1.099  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1        0.460   2.772   0.183  0.00  0.00    -0.256 N 
ATOM      3  H   LIG    1       -0.064   3.166  -0.589  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1        0.242   1.339   1.992  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.820   2.923   0.129  0.00  0.00    +0.188 C 
ATOM      6  N   LIG    1        2.303   3.564  -0.877  0.00  0.00    -0.270 NA
ATOM      7  H   LIG    1        1.566   3.869  -1.512  0.00  0.00    +0.190 HD
BRANCH   5   8
ATOM      8  N   LIG    1        2.588   2.405   1.117  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        2.105   1.770   1.754  0.00  0.00    +0.163 HD
BRANCH   8  10
ATOM     10  C   LIG    1        3.999   2.133   0.969  0.00  0.00    +0.152 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.214   0.770   0.351  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1        4.263  -0.412   1.106  0.00  0.00    +0.046 A 
ATOM     13 CL   LIG    1        4.084  -0.409   2.826  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        4.450  -1.650   0.479  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.570  -1.726  -0.910  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.499  -0.565  -1.675  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.322   0.671  -1.050  0.00  0.00    +0.007 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   2   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.764   2.070   0.886  0.00  0.00    +0.133 C 
BRANCH  18  23
ATOM     19  C   LIG    1       -3.410  -1.360   0.705  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -3.388  -1.663  -0.667  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1       -2.835  -0.748  -1.566  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -2.292   0.473  -1.113  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1       -2.314   0.800   0.262  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1       -2.874  -0.145   1.152  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -1.713   1.360  -2.146  0.00  0.00    +0.057 N 
ATOM     26  O   LIG    1       -1.383   2.511  -1.824  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -1.579   0.904  -3.291  0.00  0.00    -0.126 OA
ENDBRANCH  22  25
BRANCH  19  29
ATOM     28  C   LIG    1       -3.996  -2.055   2.920  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -3.970  -2.308   1.522  0.00  0.00    -0.491 OA
ENDBRANCH  19  29
BRANCH  20  30
ATOM     30  O   LIG    1       -3.946  -2.863  -1.032  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -3.706  -3.330  -2.355  0.00  0.00    +0.277 C 
ENDBRANCH  20  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 9