REMARK  Name = BDB060030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.458  -0.710   3.206  0.00  0.00    -0.435 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.069   1.758   1.162  0.00  0.00    +0.098 A 
ATOM      3  N   LIG    1       -2.198   0.784   1.504  0.00  0.00    -0.208 NA
ATOM      4  C   LIG    1       -2.309   0.305   2.771  0.00  0.00    +0.262 A 
ATOM      5  C   LIG    1       -3.281   0.763   3.677  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -4.156   1.726   3.324  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -4.035   2.204   2.057  0.00  0.00    +0.141 A 
BRANCH   2  10
ATOM      8  C   LIG    1       -2.116   0.179  -1.542  0.00  0.00    +0.070 C 
ATOM      9  C   LIG    1       -2.509   1.599  -1.369  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -2.934   2.267  -0.186  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1       -3.125   3.571  -0.597  0.00  0.00    +0.144 A 
ATOM     12  C   LIG    1       -3.497   4.843   0.056  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -2.878   3.659  -1.933  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -2.490   2.429  -2.419  0.00  0.00    -0.083 NA
ENDBRANCH   2  10
BRANCH   5  15
ATOM     15  N   LIG    1       -3.374   0.308   4.992  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1       -3.367  -0.705   5.048  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -4.197   0.726   5.417  0.00  0.00    +0.144 HD
ENDBRANCH   5  15
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -0.500  -1.118   2.311  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1       -0.672  -2.335   1.654  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        0.299  -2.773   0.752  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        1.439  -1.993   0.514  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        1.626  -0.792   1.213  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        0.655  -0.357   2.118  0.00  0.00    +0.047 A 
BRANCH  21  24
ATOM     24  C   LIG    1        2.443  -2.485  -0.470  0.00  0.00    +0.248 C 
ATOM     25  N   LIG    1        3.014  -1.499  -1.254  0.00  0.00    -0.281 N 
ATOM     26  H   LIG    1        2.629  -0.567  -1.168  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1        2.649  -3.690  -0.535  0.00  0.00    -0.270 OA
BRANCH  25  28
ATOM     28  C   LIG    1        4.009  -1.661  -2.241  0.00  0.00    +0.035 A 
ATOM     29  C   LIG    1        4.657  -2.869  -2.505  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        5.636  -2.934  -3.500  0.00  0.00    +0.043 A 
ATOM     31 CL   LIG    1        6.433  -4.427  -3.821  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        5.980  -1.803  -4.237  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        5.342  -0.594  -3.977  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        4.363  -0.524  -2.982  0.00  0.00    +0.023 A 
ENDBRANCH  25  28
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 6