REMARK  Name = BDB021778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.449  -0.153  -0.721  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.059   1.073  -0.440  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.433   1.012  -0.360  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.825   0.102  -0.156  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.414   2.100  -0.252  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.343   2.087  -0.211  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -5.681   1.789   0.120  0.00  0.00    +0.062 A 
ATOM      8 CL   LIG    1       -6.194   0.152   0.360  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1       -6.631   2.804   0.268  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -6.256   4.132   0.078  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -4.940   4.427  -0.259  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -4.587   5.705  -0.452  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.985   3.423  -0.408  0.00  0.00    +0.063 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.832   0.536  -0.315  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.117  -0.189   0.750  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.606   0.062   0.730  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.021  -0.296  -0.637  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.765   0.464  -1.732  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.268   0.194  -1.639  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.314   0.339  -0.295  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.985   1.469  -1.100  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.926   0.293   1.135  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.992  -1.093   0.540  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.452   0.152   1.227  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -2.166  -1.268  -1.349  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.542  -2.387  -0.401  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.896  -3.634  -0.942  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.284  -4.689  -0.114  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.333  -4.511   1.266  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.996  -3.277   1.818  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.607  -2.221   0.990  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7