REMARK  Name = BDB008999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.180  -3.301   1.044  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.513  -2.303   0.795  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1        2.129  -1.063   0.261  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        3.617  -1.091   0.044  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        4.123   0.092  -0.783  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        3.462   1.392  -0.340  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        1.939   1.313  -0.483  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.363   0.011   0.003  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.109  -0.129   0.244  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -0.655  -1.202   0.734  0.00  0.00    -0.175 NA
ATOM     11  N   LIG    1        0.161  -2.256   1.002  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -0.281  -3.093   1.369  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.011   1.064  -0.070  0.00  0.00    +0.092 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.464   0.709  -0.303  0.00  0.00    -0.037 A 
ATOM     15  C   LIG    1       -2.884   0.224  -1.547  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -4.226  -0.132  -1.761  0.00  0.00    +0.127 A 
ATOM     17 BR   LIG    1       -4.712  -0.775  -3.484  0.00  0.00    -0.027 Br
ATOM     18  N   LIG    1       -5.160  -0.007  -0.732  0.00  0.00    -0.133 N 
ATOM     19  O   LIG    1       -6.389  -0.306  -0.881  0.00  0.00    -0.163 OA
ATOM     20  C   LIG    1       -4.726   0.466   0.498  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1       -3.398   0.822   0.727  0.00  0.00    +0.025 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2