REMARK  Name = BDB019776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.020   1.669  -0.286  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.158   1.365  -0.989  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.406   0.064  -1.450  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.542  -0.943  -1.240  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.730  -0.666  -0.552  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.949   0.636  -0.070  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -1.456   6.631  -1.026  0.00  0.00    +0.048 C 
ATOM      8  C   LIG    1       -1.463   5.429  -0.138  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.764   5.545   1.214  0.00  0.00    +0.216 A 
ATOM     10  F   LIG    1       -2.017   6.762   1.719  0.00  0.00    -0.184 F 
ATOM     11  N   LIG    1       -1.821   4.505   2.070  0.00  0.00    -0.227 NA
ATOM     12  C   LIG    1       -1.578   3.280   1.547  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1       -1.275   3.029   0.208  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.226   4.144  -0.639  0.00  0.00    +0.017 A 
ENDBRANCH   1  13
BRANCH   3  15
ATOM     15  C   LIG    1        1.653  -0.284  -2.184  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.779   0.442  -1.855  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.768   1.010  -1.020  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.648  -1.197  -3.001  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.075   0.098  -2.396  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.846  -0.762  -1.427  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.593  -2.141  -1.351  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.281  -2.945  -0.436  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        4.908  -4.632  -0.406  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.231  -2.373   0.415  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.120  -3.299   1.572  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        6.484  -0.999   0.350  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.794  -0.197  -0.563  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.749  -1.751  -0.299  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.623  -2.206   1.072  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -1.670  -2.440   1.321  0.00  0.00    +0.149 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -3.514  -3.095   1.563  0.00  0.00    +0.176 C 
ATOM     32  N   LIG    1       -3.163  -3.613   2.769  0.00  0.00    -0.316 N 
ATOM     33  H   LIG    1       -2.769  -2.929   3.402  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -4.327  -4.311   3.278  0.00  0.00    +0.127 C 
ATOM     35  C   LIG    1       -5.178  -4.454   2.012  0.00  0.00    +0.163 C 
ATOM     36  N   LIG    1       -4.640  -3.467   1.036  0.00  0.00    -0.255 NA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7