REMARK  Name = BDB048900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.591  -0.269   0.059  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        2.496   0.729   0.354  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        2.269   1.659   0.674  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.762   0.246   0.155  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        3.565  -1.059  -0.259  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        4.576  -1.901  -0.563  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        5.812  -1.363  -0.430  0.00  0.00    +0.134 A 
ATOM      8  C   LIG    1        6.099  -0.064  -0.021  0.00  0.00    +0.079 A 
ATOM      9 CL   LIG    1        7.747   0.431   0.085  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        5.038   0.787   0.289  0.00  0.00    +0.088 A 
ATOM     11 CL   LIG    1        5.230   2.414   0.807  0.00  0.00    -0.080 Cl
ATOM     12  N   LIG    1        2.237  -1.363  -0.312  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -2.733   0.060   0.324  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -1.897   1.173   0.513  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -0.495   1.091   0.428  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        0.134  -0.125   0.158  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -0.678  -1.246  -0.022  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.076  -1.154   0.067  0.00  0.00    +0.024 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -4.947  -0.996   0.049  0.00  0.00    +0.129 C 
ATOM     20  N   LIG    1       -4.126   0.152   0.431  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1       -4.757   1.460   0.262  0.00  0.00    +0.129 C 
ENDBRANCH  13  20
ENDBRANCH   1  16
TORSDOF 2