REMARK  Name = BDB007852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.497  -0.145  -0.151  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.452  -0.852   0.323  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.204  -0.331   0.151  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.960  -1.128   0.645  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -2.077  -0.287   1.046  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -2.445   0.775   0.211  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -1.425   1.299  -0.615  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.595   1.215   0.216  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.069   0.858  -0.509  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        1.040   1.576  -0.964  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        2.333   1.071  -0.790  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.731   2.352  -1.542  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -2.527   3.442  -1.164  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.830   4.448  -2.082  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1       -3.789   5.792  -1.592  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -2.359   4.382  -3.391  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.584   3.296  -3.789  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -1.276   2.287  -2.873  0.00  0.00    +0.024 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        4.978  -0.339  -0.308  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1        3.727  -0.756   0.086  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        3.625  -1.627   0.588  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        5.207   0.640  -1.019  0.00  0.00    -0.274 OA
BRANCH  19  23
ATOM     23  C   LIG    1        6.124  -1.283   0.155  0.00  0.00    +0.137 C 
ATOM     24  C   LIG    1        6.122  -1.481   1.669  0.00  0.00    +0.034 C 
BRANCH  23  26
ATOM     25  C   LIG    1        8.364  -1.695  -0.705  0.00  0.00    +0.101 C 
ATOM     26  N   LIG    1        7.422  -0.690  -0.236  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        7.245  -0.014  -0.989  0.00  0.00    +0.122 HD
ENDBRANCH  23  26
ENDBRANCH  19  23
ENDBRANCH   1  20
BRANCH   5  28
ATOM     28  C   LIG    1       -3.038  -0.881   1.998  0.00  0.00    +0.078 C 
ATOM     29  C   LIG    1       -3.659   0.138   2.953  0.00  0.00    +0.028 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -4.049  -1.736   1.226  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1       -5.330  -1.149   0.560  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -6.031  -2.477   0.911  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -5.019  -2.621   2.065  0.00  0.00    +0.005 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6