REMARK  Name = BDB017082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.006  -1.312  -1.367  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1        0.213  -0.751  -1.088  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.950  -1.755  -0.488  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.196  -2.909  -0.423  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.965  -2.613  -0.960  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.324  -1.646  -0.004  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.019  -2.805   0.096  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.289  -2.744   0.541  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.920  -1.567   0.896  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.204  -0.374   0.792  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.882  -0.418   0.335  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.823   0.891   1.156  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        4.220   2.092   1.078  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        5.209   2.882   1.524  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        5.103   3.889   1.608  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.349   2.268   1.855  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        6.115   0.985   1.623  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.112  -0.671  -2.058  0.00  0.00    +0.159 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -4.521   0.869   0.530  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1       -3.891  -0.078  -0.299  0.00  0.00    +0.057 A 
ATOM     21 CL   LIG    1       -4.421  -1.728  -0.272  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -2.843   0.306  -1.163  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1       -2.439   1.654  -1.179  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.057   2.596  -0.363  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.089   2.207   0.486  0.00  0.00    +0.014 A 
BRANCH  19  27
ATOM     26  F   LIG    1       -6.120   1.543   2.185  0.00  0.00    -0.166 F 
ATOM     27  C   LIG    1       -5.646   0.487   1.460  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1       -6.731  -0.010   0.804  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -5.287  -0.447   2.382  0.00  0.00    -0.166 F 
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 5