REMARK  Name = BDB030070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.158   0.175  -1.345  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -1.119  -0.829  -1.542  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -2.171   0.709  -0.568  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -2.053   1.812  -0.036  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.407  -0.097  -0.387  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -3.555  -1.377  -0.919  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -2.560  -1.936  -1.628  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -4.736  -2.090  -0.719  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.921  -3.671  -1.382  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.784  -1.536   0.017  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -5.660  -0.254   0.564  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.465   0.457   0.353  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.729   0.362   1.335  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -6.690   1.676   1.746  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -7.805   1.874   2.412  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -8.564   0.743   2.450  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -9.843   0.612   3.098  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -7.895  -0.235   1.768  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.209   0.861  -1.216  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.111   1.721  -0.649  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.407  -0.140  -0.512  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.089  -1.500  -0.894  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        1.510   0.262   0.872  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.849   0.418  -1.421  0.00  0.00    +0.190 C 
BRANCH  24  28
ATOM     25  C   LIG    1        7.051   0.380  -0.805  0.00  0.00    +0.118 C 
ATOM     26  C   LIG    1        5.928   0.977   0.058  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        4.764   0.003   0.237  0.00  0.00    +0.008 C 
ATOM     28  C   LIG    1        4.111  -0.398  -1.103  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1        5.104  -0.282  -2.277  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1        6.521  -0.624  -1.839  0.00  0.00    +0.032 C 
BRANCH  25  32
ATOM     31  C   LIG    1        8.990   0.521   0.575  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        7.998  -0.324   0.006  0.00  0.00    -0.380 OA
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7