REMARK  Name = BDB048520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.184  -2.189  -0.206  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.135  -1.660  -0.244  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.214  -2.550  -0.301  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.000  -3.931  -0.327  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.308  -4.433  -0.295  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.405  -3.567  -0.233  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.288  -0.263  -0.210  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1        0.874   0.372  -1.412  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        2.407   0.547  -1.349  0.00  0.00    +0.124 C 
ATOM     10  N   LIG    1        2.830   1.177  -0.079  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1        2.325   0.456   1.119  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        0.790   0.293   1.068  0.00  0.00    +0.124 C 
BRANCH  10  13
ATOM     13  C   LIG    1        4.162   1.605   0.036  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.510   2.511   1.056  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        5.819   2.978   1.210  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        6.802   2.547   0.335  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        8.058   2.990   0.477  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.497   1.666  -0.691  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        5.184   1.204  -0.841  0.00  0.00    +0.026 A 
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.574  -1.428  -0.078  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1       -2.216  -1.228  -0.144  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1       -1.851  -0.277  -0.124  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -4.157  -2.505  -0.100  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1       -4.785   3.242   1.613  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -4.993   2.044   0.729  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.162   0.906   0.794  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1       -2.883   0.869   1.968  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -4.399  -0.191  -0.057  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1       -5.488  -0.164  -0.944  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1       -6.314   0.954  -1.006  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -6.059   2.041  -0.179  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1       -6.871   3.105  -0.262  0.00  0.00    -0.205 F 
ENDBRANCH  20  28
ENDBRANCH   1  21
BRANCH   5  33
ATOM     33  N   LIG    1       -0.522  -5.885  -0.325  0.00  0.00    +0.056 N 
ATOM     34  O   LIG    1       -1.687  -6.302  -0.383  0.00  0.00    -0.126 OA
ATOM     35  O   LIG    1        0.481  -6.613  -0.294  0.00  0.00    -0.126 OA
ENDBRANCH   5  33
TORSDOF 5