REMARK  Name = BDB034166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.184   0.193   1.761  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.195  -0.875   0.820  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.459  -0.486   0.030  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.532   0.079   0.923  0.00  0.00    -0.040 C 
ATOM      5  C   LIG    1        2.256   0.461   2.182  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1        0.873   0.389   2.768  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.896   0.180   0.384  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1        4.331   1.251  -0.414  0.00  0.00    +0.084 A 
ATOM      9 CL   LIG    1        3.276   2.563  -0.823  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        5.648   1.285  -0.892  0.00  0.00    +0.154 A 
ATOM     11  F   LIG    1        6.039   2.324  -1.650  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1        6.549   0.264  -0.584  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1        6.116  -0.800   0.219  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.804  -0.841   0.699  0.00  0.00    +0.010 A 
BRANCH  12  15
ATOM     15  C   LIG    1        7.960   0.249  -1.065  0.00  0.00    +0.247 C 
ATOM     16  N   LIG    1        8.361   1.262  -1.908  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1        7.732   2.034  -2.100  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        9.726   1.370  -2.355  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        8.713  -0.649  -0.702  0.00  0.00    -0.270 OA
ENDBRANCH  12  15
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -1.468  -0.074   2.422  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.852  -0.414  -1.233  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.705  -1.709  -0.490  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -7.511  -2.625  -0.617  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.623  -1.833   0.343  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.543  -2.711   0.836  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.667  -0.825   0.511  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.792   0.375  -0.186  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -3.918   1.397  -0.084  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -2.869   1.205   0.752  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.651   0.041   1.494  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -3.584  -0.995   1.366  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -5.929   0.553  -1.082  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -9.321   0.021  -1.405  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -8.031  -0.279  -2.156  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5