REMARK  Name = BDB012944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.292  -0.271  -0.778  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.194   0.240  -0.099  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.121   0.248  -0.722  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.985   1.122   0.196  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.332   0.919   1.561  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.151   0.840   1.224  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.142  -0.826  -1.870  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.863  -0.370   0.083  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.286   0.391   1.058  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -4.739   0.843   1.846  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -2.960   0.540   0.923  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -2.648  -0.151  -0.191  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -3.825  -0.733  -0.746  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.972  -0.083  -1.214  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.332  -0.657   0.050  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -6.598  -2.159   0.156  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.392   0.767   0.194  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        3.719   0.080   0.864  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.212   1.123  -0.866  0.00  0.00    +0.266 C 
ATOM     20  O   LIG    1        3.796   1.826  -1.784  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.628   0.613  -0.860  0.00  0.00    +0.160 A 
ATOM     22  C   LIG    1        6.100  -0.256   0.118  0.00  0.00    +0.154 A 
ATOM     23  F   LIG    1        5.322  -0.699   1.118  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        7.421  -0.689   0.060  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        8.238  -0.245  -0.974  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        7.696   0.619  -1.913  0.00  0.00    +0.112 A 
ATOM     27  N   LIG    1        6.419   1.055  -1.880  0.00  0.00    -0.248 NA
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4