REMARK  Name = BDB004808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.537   2.349   1.456  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.977   0.919   1.795  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        0.194  -0.033   2.018  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        1.396   0.044   1.289  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.443  -0.867   1.505  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.282  -1.869   2.460  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        1.090  -1.972   3.179  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.053  -1.068   2.955  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1        3.611  -0.701   0.729  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.592   0.067   0.070  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.731  -1.508   0.717  0.00  0.00    +0.249 C 
ATOM     12  O   LIG    1        4.905  -2.548   1.339  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1        5.792  -1.036  -0.218  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        6.647  -2.007  -0.950  0.00  0.00    +0.119 C 
ATOM     15  N   LIG    1        7.468  -1.754  -1.912  0.00  0.00    -0.271 NA
ATOM     16  C   LIG    1        7.511  -0.361  -2.373  0.00  0.00    +0.199 C 
ATOM     17 CL   LIG    1        6.275  -0.159  -3.653  0.00  0.00    -0.096 Cl
ATOM     18  C   LIG    1        7.289   0.651  -1.240  0.00  0.00    +0.071 C 
ATOM     19  C   LIG    1        6.164   0.252  -0.324  0.00  0.00    -0.009 C 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1       -1.791   0.347   0.722  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -1.334   0.423  -0.180  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.138   0.734   0.629  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1       -3.955   0.175  -0.378  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -5.291   0.619  -0.427  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -6.118   0.089  -1.441  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1       -5.633  -0.861  -2.361  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -4.324  -1.307  -2.289  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1       -5.745   1.518   0.475  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1       -4.894   1.952   1.411  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -3.492  -0.793  -1.304  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1       -3.615   1.602   1.532  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1       -7.552   0.480  -1.618  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1       -8.250  -0.018  -2.495  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1       -8.082   1.414  -0.779  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1       -9.059   1.653  -0.866  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -7.531   1.803  -0.019  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6