REMARK  Name = BDB030047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.675  -1.614   1.530  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.209  -1.794   2.577  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.212  -1.203   3.410  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.502  -2.163   0.444  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.858   0.326   0.835  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.740  -0.516   0.694  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.835  -0.710   1.750  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.055  -0.049   2.957  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.203  -0.207   3.983  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.160   0.788   3.110  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        3.432   1.606   4.602  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.058   0.978   2.058  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        7.661   1.608  -2.093  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        6.433   1.061  -1.577  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        5.957   1.192  -0.301  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        4.764   0.498  -0.290  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        4.520  -0.043  -1.532  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.538   0.312  -2.282  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.482  -2.549   2.293  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -1.374  -3.321   1.622  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.864  -1.606   1.973  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -3.992  -2.509   1.954  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -2.808  -0.465   2.863  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -2.543  -1.054   0.296  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.767  -0.410  -0.375  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -3.491  -0.250  -1.884  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1       -4.627   0.449  -2.633  0.00  0.00    +0.115 C 
ATOM     28  C   LIG    1       -5.023   1.770  -1.976  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1       -5.290   1.623  -0.481  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -4.128   0.950   0.245  0.00  0.00    +0.005 C 
BRANCH  27  31
ATOM     31  O   LIG    1       -5.754  -0.417  -2.728  0.00  0.00    -0.392 OA
ATOM     32  H   LIG    1       -6.113  -0.571  -1.839  0.00  0.00    +0.210 HD
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7