REMARK  Name = BDB043095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119  -1.088  -0.495  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.048  -1.258   0.490  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.150  -1.665   0.110  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.193  -0.918   1.807  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        1.506  -0.760   2.425  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.174  -0.288   3.843  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1       -0.151  -0.990   4.168  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1       -0.983  -0.260   5.226  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.419   1.139   4.773  0.00  0.00    +0.111 C 
ATOM     10  N   LIG    1       -1.677   1.212   3.342  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1       -2.009  -0.041   2.662  0.00  0.00    +0.133 C 
ATOM     12  C   LIG    1       -1.613   2.440   2.712  0.00  0.00    +0.403 C 
ATOM     13  O   LIG    1       -1.379   3.490   3.299  0.00  0.00    -0.226 OA
ATOM     14  C   LIG    1        2.495   0.189   1.728  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1        1.869   1.101   0.680  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -0.870  -1.075   2.804  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        1.523   0.383  -0.628  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        1.563  -2.008  -2.766  0.00  0.00    +0.230 C 
ATOM     19  N   LIG    1        0.685  -1.626  -1.782  0.00  0.00    -0.303 N 
ATOM     20  H   LIG    1       -0.318  -1.741  -1.899  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        2.780  -1.872  -2.641  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     22  C   LIG    1        0.898  -2.547  -4.061  0.00  0.00    +0.137 C 
ATOM     23  C   LIG    1       -0.081  -3.687  -3.789  0.00  0.00    +0.034 C 
BRANCH  22  25
ATOM     24  C   LIG    1        2.619  -4.147  -4.824  0.00  0.00    +0.101 C 
ATOM     25  N   LIG    1        1.927  -2.889  -5.077  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        2.627  -2.141  -5.045  0.00  0.00    +0.122 HD
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH   1  19
BRANCH  12  27
ATOM     27  O   LIG    1       -1.814   2.357   1.373  0.00  0.00    -0.445 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.704   3.610   0.693  0.00  0.00    +0.269 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.775   3.358  -0.794  0.00  0.00    -0.010 A 
ATOM     30  C   LIG    1       -0.662   3.582  -1.615  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -0.734   3.344  -2.989  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.921   2.882  -3.556  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.033   2.654  -2.749  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.962   2.888  -1.374  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 6