REMARK  Name = BDB054847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.297  -0.846  -0.518  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.009  -0.575  -0.034  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.118  -0.798  -0.838  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -0.936  -1.314  -2.130  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        0.343  -1.604  -2.608  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.460  -1.375  -1.804  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.317  -0.719   1.594  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.453  -0.586   0.382  0.00  0.00    +0.263 C 
ATOM      9  N   LIG    1        3.608  -0.157  -0.228  0.00  0.00    -0.203 N 
ATOM     10  H   LIG    1        3.740  -0.226  -1.223  0.00  0.00    +0.178 HD
BRANCH   9  11
ATOM     11  N   LIG    1        4.756  -0.299   0.443  0.00  0.00    -0.183 N 
ATOM     12  N   LIG    1        5.716  -1.145   0.043  0.00  0.00    -0.159 NA
ATOM     13  C   LIG    1        6.721  -0.898   0.893  0.00  0.00    +0.169 A 
ATOM     14  C   LIG    1        6.421   0.158   1.772  0.00  0.00    +0.165 A 
ATOM     15  C   LIG    1        5.147   0.559   1.426  0.00  0.00    +0.165 A 
BRANCH  14  16
ATOM     16  N   LIG    1        7.255   0.711   2.789  0.00  0.00    +0.060 N 
ATOM     17  O   LIG    1        8.364   0.184   2.943  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        6.810   1.674   3.425  0.00  0.00    -0.126 OA
ENDBRANCH  14  16
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.507  -0.516  -0.316  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.142   0.410  -1.196  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.429   0.765  -0.906  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -5.184   0.313   0.178  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -6.498   0.761   0.354  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -7.055   1.660  -0.553  0.00  0.00    +0.018 A 
ATOM     25 BR   LIG    1       -8.830   2.262  -0.310  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1       -6.311   2.118  -1.636  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -5.000   1.668  -1.809  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6