REMARK  Name = BDB060029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.775   1.611  -2.745  0.00  0.00    -0.435 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.780  -0.024  -1.656  0.00  0.00    +0.098 A 
ATOM      3  N   LIG    1       -2.471   0.317  -1.681  0.00  0.00    -0.208 NA
ATOM      4  C   LIG    1       -2.102   1.190  -2.653  0.00  0.00    +0.262 A 
ATOM      5  C   LIG    1       -3.006   1.727  -3.589  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -4.309   1.393  -3.547  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -4.675   0.520  -2.572  0.00  0.00    +0.141 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -6.238  -2.302  -1.613  0.00  0.00    +0.070 C 
ATOM      9  C   LIG    1       -5.233  -1.935  -0.586  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -4.187  -0.968  -0.633  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -3.550  -1.122   0.584  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1       -2.382  -0.496   1.240  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -4.185  -2.081   1.308  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -5.245  -2.584   0.585  0.00  0.00    -0.083 NA
ENDBRANCH   2  10
BRANCH   5  15
ATOM     15  N   LIG    1       -2.608   2.634  -4.585  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -2.208   3.457  -4.142  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -1.870   2.211  -5.142  0.00  0.00    +0.144 HD
ENDBRANCH   5  15
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1        0.098   1.080  -1.828  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1        0.532   1.887  -0.776  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        1.445   1.383   0.155  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        1.939   0.078   0.012  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        1.501  -0.723  -1.053  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        0.590  -0.217  -1.982  0.00  0.00    +0.047 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.903  -0.505   0.989  0.00  0.00    +0.248 C 
ATOM     25  N   LIG    1        3.845   0.383   1.478  0.00  0.00    -0.282 N 
ATOM     26  H   LIG    1        3.873   1.301   1.055  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        2.810  -1.697   1.251  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.841   0.126   2.444  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        5.743   1.162   2.724  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        6.758   0.989   3.671  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.873  -0.223   4.346  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        8.122  -0.439   5.509  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        5.981  -1.258   4.082  0.00  0.00    +0.022 A 
ATOM     34  C   LIG    1        4.966  -1.083   3.134  0.00  0.00    +0.025 A 
ENDBRANCH  25  28
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 6