REMARK  Name = BDB024111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.511   0.238  -0.371  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.571  -1.015  -1.245  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1        2.005  -2.236  -0.704  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        2.056  -3.383  -1.497  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        1.682  -3.322  -2.838  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.264  -2.113  -3.391  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        1.213  -0.964  -2.602  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.110   2.083  -0.597  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        0.083   0.888  -0.390  0.00  0.00    +0.239 C 
ATOM     10  N   LIG    1       -0.920  -0.033  -0.084  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -0.641  -1.007  -0.057  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -2.300   0.211   0.068  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -3.127  -0.901   0.252  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -4.511  -0.748   0.417  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -5.112   0.521   0.407  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.262   1.627   0.235  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -2.878   1.477   0.065  0.00  0.00    +0.024 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -6.566   0.704   0.576  0.00  0.00    +0.093 A 
ATOM     19  N   LIG    1       -6.959   1.827   1.223  0.00  0.00    -0.149 NA
ATOM     20  N   LIG    1       -8.290   2.089   1.430  0.00  0.00    -0.157 NA
ATOM     21  C   LIG    1       -9.211   1.220   0.981  0.00  0.00    +0.135 A 
ATOM     22  C   LIG    1       -8.866   0.064   0.312  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -7.515  -0.198   0.105  0.00  0.00    +0.032 A 
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   1  24
ATOM     24  N   LIG    1        2.577   1.166  -0.805  0.00  0.00    -0.302 NA
ATOM     25  H   LIG    1        3.426   0.624  -0.967  0.00  0.00    +0.123 HD
BRANCH  24  26
ATOM     26  C   LIG    1        2.884   2.237   0.151  0.00  0.00    +0.086 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.524   1.798   1.483  0.00  0.00    +0.050 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.744   0.916   1.339  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1        5.886   1.375   0.667  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        7.007   0.553   0.530  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.995  -0.730   1.071  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        8.374  -1.744   0.902  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        5.872  -1.198   1.750  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        4.752  -0.376   1.887  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8