REMARK  Name = BDB009574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.692   1.008   0.644  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.372   0.029   0.300  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.161   0.497  -0.970  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.383   2.031  -0.969  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -1.122   2.661   0.406  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.325   2.351   0.785  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.095   3.221   1.181  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.005  -1.452   0.307  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.494  -2.119  -0.823  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.795  -3.483  -0.780  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.591  -4.202   0.393  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.967  -5.880   0.445  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.084  -3.570   1.523  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.215  -2.205   1.479  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.488  -0.240  -1.141  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.687  -1.052  -2.270  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -3.886  -1.746  -2.441  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.106  -2.742  -3.827  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.904  -1.639  -1.498  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.723  -0.831  -0.377  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.524  -0.136  -0.199  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.145   0.705   0.696  0.00  0.00    +0.164 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.648   0.259  -0.644  0.00  0.00    +0.237 A 
ATOM     24  O   LIG    1        3.723  -0.594  -0.684  0.00  0.00    -0.423 OA
ATOM     25  C   LIG    1        3.889  -0.769  -2.031  0.00  0.00    +0.214 A 
ATOM     26  C   LIG    1        4.978  -1.659  -2.465  0.00  0.00    +0.111 C 
ATOM     27  N   LIG    1        3.013  -0.098  -2.747  0.00  0.00    -0.113 NA
ATOM     28  N   LIG    1        2.218   0.582  -1.849  0.00  0.00    -0.110 NA
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1        2.064   0.291   3.216  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1        2.579  -0.193   1.868  0.00  0.00    +0.029 C 
ENDBRANCH  22  30
ENDBRANCH   1  22
BRANCH   5  31
ATOM     31  C   LIG    1       -1.366   4.175   0.354  0.00  0.00    +0.133 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.318   4.854   1.698  0.00  0.00    +0.305 C 
ATOM     33  O   LIG    1       -1.096   6.040   1.885  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.647   4.061   2.734  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -1.555   4.659   3.507  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 8