REMARK  Name = BDB016600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.604   0.413   0.761  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.351   1.088   0.144  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1       -0.039   0.514  -1.181  0.00  0.00    -0.292 NA
ATOM      4  C   LIG    1        0.265  -0.921  -1.075  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.924  -1.688  -0.491  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -1.377  -1.103   0.849  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.762   0.716  -0.086  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -2.519   0.664  -1.082  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1       -8.065  -0.552   1.396  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1       -6.718  -0.258   0.941  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1       -6.458  -0.117  -0.419  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1       -7.316  -0.262  -1.289  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1       -5.048   0.215  -0.772  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1       -4.667   0.319  -2.462  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1       -4.098   0.409   0.155  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -4.599   0.298   1.548  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1       -5.795  -0.011   1.926  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1        1.027   1.264  -1.883  0.00  0.00    +0.183 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.362   1.300  -1.214  0.00  0.00    +0.242 A 
ATOM     20  O   LIG    1        2.659   2.423  -0.502  0.00  0.00    -0.336 OA
ATOM     21  N   LIG    1        3.926   2.225   0.039  0.00  0.00    -0.056 NA
ATOM     22  C   LIG    1        4.278   1.005  -0.402  0.00  0.00    +0.202 A 
ATOM     23  N   LIG    1        3.319   0.399  -1.187  0.00  0.00    -0.190 NA
BRANCH  22  24
ATOM     24  C   LIG    1        5.548   0.357  -0.088  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.834  -0.920  -0.594  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        7.047  -1.551  -0.298  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        7.984  -0.907   0.507  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        9.475  -1.682   0.871  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        7.718   0.361   1.018  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        6.505   0.991   0.722  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5