REMARK  Name = BDB030987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047   0.404  -2.729  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.292  -0.051  -4.004  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.575  -0.508  -4.207  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.528  -0.541  -3.254  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -3.191  -0.092  -2.043  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.976   0.373  -1.748  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        2.965   0.343   0.896  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        3.119   1.315  -0.119  0.00  0.00    +0.086 A 
ATOM      9 CL   LIG    1        4.364   2.518  -0.105  0.00  0.00    -0.079 Cl
ATOM     10  C   LIG    1        2.133   1.399  -1.119  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        1.004   0.581  -1.139  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.234   0.939  -2.292  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.882   1.994  -2.901  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        0.842  -0.358  -0.102  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.031   2.248  -2.199  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.712   2.965  -2.418  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        1.815  -0.461   0.902  0.00  0.00    +0.026 A 
BRANCH   7  19
ATOM     18  C   LIG    1        5.273  -0.073   1.599  0.00  0.00    +0.407 C 
ATOM     19  N   LIG    1        3.937   0.167   1.933  0.00  0.00    -0.239 N 
ATOM     20  C   LIG    1        3.469  -0.086   3.288  0.00  0.00    +0.142 C 
ATOM     21  O   LIG    1        5.714  -0.178   0.459  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.434  -0.478   2.418  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.059  -0.229   2.706  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.295  -0.076  -5.101  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -0.698  -0.844  -6.158  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.914  -0.584  -4.740  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -0.054   1.154  -5.633  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -4.189  -0.149  -1.082  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -4.876  -0.793  -1.463  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.737  -0.443   0.279  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -4.852  -1.205   1.041  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -4.517  -1.461   2.447  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -5.298  -1.941   2.895  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -4.254  -0.208   3.158  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -3.124   0.580   2.501  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -3.418   0.860   1.028  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6