REMARK  Name = BDB040418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.806  -0.702   2.354  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.542  -0.211   1.903  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.784   1.151   1.716  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.035   1.605   1.275  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.183   3.316   1.050  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.093   0.709   1.005  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.818  -0.666   1.165  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.972  -1.906   0.800  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.565  -1.114   1.608  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.455   1.228   0.545  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.624   0.694   1.369  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.561   0.506   2.583  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.809   0.507   0.699  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.580   0.167   1.259  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.133   0.921  -0.568  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.285   0.849  -0.984  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.022   1.547  -1.375  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.665   1.006  -0.957  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.832  -1.701   1.410  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.611  -1.085   1.218  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.459  -0.587   0.350  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.223  -2.041   2.524  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.989  -2.624   0.472  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.661  -1.922   0.118  0.00  0.00    +0.068 C 
ATOM     25  C   LIG    1        2.851  -2.884  -0.778  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.989  -0.575  -0.544  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1        3.812  -0.333  -1.913  0.00  0.00    +0.025 A 
ATOM     28  C   LIG    1        4.139   0.943  -2.395  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1        4.623   1.927  -1.533  0.00  0.00    +0.167 A 
ATOM     30  N   LIG    1        4.902   3.146  -2.113  0.00  0.00    -0.228 NA
ATOM     31  C   LIG    1        4.644   3.083  -3.398  0.00  0.00    +0.158 A 
ATOM     32  N   LIG    1        4.809   1.713  -0.209  0.00  0.00    -0.235 NA
ATOM     33  S   LIG    1        4.049   1.587  -3.987  0.00  0.00    -0.074 S 
ATOM     34  C   LIG    1        4.498   0.476   0.228  0.00  0.00    +0.117 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5