REMARK  Name = BDB041356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.399  -0.339   1.729  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1        2.027  -1.762   1.817  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.227  -2.244   0.584  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.074  -1.395   0.207  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.545   0.004   0.085  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.299   0.561   1.316  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.231   0.882   0.586  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        5.556   1.647   1.469  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        4.326   1.211   1.825  0.00  0.00    +0.151 A 
ATOM     10 CL   LIG    1        3.614   2.223   3.032  0.00  0.00    -0.060 Cl
ATOM     11  C   LIG    1        3.685   0.046   1.343  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        4.447  -0.710   0.443  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        5.724  -0.297   0.055  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.152   1.776  -1.651  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.920   1.220  -1.147  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.170   1.068  -1.808  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.595   1.363   0.195  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.354   1.858   1.019  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.034  -1.557   1.163  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.331  -0.954   0.679  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.089  -1.591  -0.306  0.00  0.00    +0.132 A 
ATOM     22  F   LIG    1       -2.670  -2.767  -0.801  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.290  -1.049  -0.787  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.040  -1.804  -1.851  0.00  0.00    +0.118 C 
ATOM     25  C   LIG    1       -6.324  -1.176  -2.337  0.00  0.00    +0.170 C 
ATOM     26  C   LIG    1       -6.770   0.108  -1.761  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1       -6.019   0.741  -0.777  0.00  0.00    +0.082 A 
ATOM     28  N   LIG    1       -6.410   1.925  -0.231  0.00  0.00    -0.254 NA
ATOM     29  C   LIG    1       -7.563   2.478  -0.673  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -8.363   1.909  -1.647  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.958   0.701  -2.201  0.00  0.00    +0.015 A 
ATOM     32  O   LIG    1       -7.008  -1.716  -3.206  0.00  0.00    -0.292 OA
ATOM     33  C   LIG    1       -4.762   0.168  -0.274  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -3.999   0.805   0.724  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1       -2.803   0.256   1.196  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4