REMARK  Name = BDB041062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.472  -1.902  -2.144  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -0.464  -1.674  -0.759  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -1.302  -0.749  -0.231  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -2.139  -0.069  -1.034  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -2.198  -0.214  -2.362  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -1.362  -1.132  -2.879  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.998   0.950  -0.405  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.394   1.066  -0.639  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.102   2.127  -0.030  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.470   3.031   0.822  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.115   2.900   1.085  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.392   1.874   0.477  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.156   0.080  -1.523  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -5.501   0.714  -2.873  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -6.420  -0.470  -0.848  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.336  -3.007  -4.107  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        0.369  -2.827  -2.697  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.342  -2.349   0.153  0.00  0.00    -0.311 N 
ATOM     19  C   LIG    1        1.304  -3.364  -0.243  0.00  0.00    +0.131 C 
BRANCH  18  20
ATOM     20  C   LIG    1        0.465  -1.818   1.514  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.723  -0.988   1.685  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.788  -1.451   2.467  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.946  -0.680   2.627  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        4.083   0.577   2.011  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.001   1.032   1.237  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.843   0.265   1.073  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.301   1.402   2.164  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        5.110   2.747   2.138  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        6.191   3.545   2.278  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.481   3.074   2.439  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.674   1.700   2.455  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.575   0.854   2.315  0.00  0.00    +0.028 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7