REMARK  Name = BDB016590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.692   0.370   0.600  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.251  -0.205   0.629  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1        0.091  -0.837  -0.659  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1        0.050   0.137  -1.755  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -1.343   0.758  -1.884  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -1.821   1.364  -0.563  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.634  -0.742   0.440  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -2.277  -1.438  -0.225  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1       -8.233  -0.099   0.834  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1       -6.807  -0.308   0.664  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1       -6.346  -1.396  -0.071  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1       -7.094  -2.197  -0.631  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1       -4.864  -1.533  -0.155  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1       -4.250  -2.830  -1.131  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1       -4.025  -0.691   0.468  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -4.717   0.349   1.270  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1       -5.991   0.541   1.368  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1        1.336  -1.618  -0.613  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.611  -0.857  -0.317  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1        3.062  -0.700   1.000  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        4.240   0.004   1.278  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        4.995   0.564   0.238  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.551   0.402  -1.082  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        3.373  -0.303  -1.353  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  N   LIG    1        6.194   1.284   0.516  0.00  0.00    -0.306 N 
ATOM     26  C   LIG    1        6.759   1.529   1.751  0.00  0.00    +0.204 A 
ATOM     27  N   LIG    1        7.869   2.230   1.676  0.00  0.00    -0.244 NA
ATOM     28  C   LIG    1        8.053   2.457   0.344  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        7.040   1.888  -0.391  0.00  0.00    +0.112 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5