REMARK  Name = BDB040582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.357  -1.471   1.545  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.973  -1.256   0.873  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.805  -0.206   1.272  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.030   0.029   0.632  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.964   1.347   1.256  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.463  -0.779  -0.443  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.616  -1.842  -0.823  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.026  -2.958  -2.084  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.390  -2.070  -0.181  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.788  -0.540  -1.166  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -4.953   0.887  -1.684  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.027   1.541  -2.160  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.230   1.395  -1.679  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.327   2.334  -2.040  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.402   0.709  -1.490  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.488   1.231  -1.726  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.278  -0.737  -1.076  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.984  -0.984  -0.316  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.722   0.581   1.815  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        1.318  -0.507   1.070  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.762  -0.660   0.167  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.281   0.781   2.946  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        1.917   2.240  -0.052  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        2.678   1.558   1.103  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        3.104   2.659   2.096  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.886   0.806   0.553  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        3.675  -0.060  -0.467  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        4.758  -0.704  -0.952  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1        6.039  -0.541  -0.470  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        6.144   0.353   0.571  0.00  0.00    +0.120 A 
ATOM     31  N   LIG    1        5.099   1.030   1.093  0.00  0.00    -0.239 NA
BRANCH  29  32
ATOM     32  C   LIG    1        7.189  -1.291  -1.058  0.00  0.00    +0.194 C 
BRANCH  32  33
ATOM     33  O   LIG    1        8.411  -0.966  -0.410  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1        9.110  -1.484  -0.845  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7