REMARK  Name = BDB004839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.054  -1.056   1.659  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.796  -0.720   1.173  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.605  -0.248  -0.149  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.707  -0.090  -1.007  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        2.534   0.382  -2.262  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        1.292   0.697  -2.647  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1        0.188   0.569  -1.916  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        3.977  -0.439  -0.501  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.339   0.092  -0.671  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.144  -0.918   0.816  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.235  -0.330  -1.305  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.324  -0.649  -0.839  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.155   0.137  -2.583  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.263   0.420  -2.979  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.000   0.228  -3.127  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1        4.351  -1.833   3.494  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.078  -1.500   2.949  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1       -0.800  -0.045   0.145  0.00  0.00    -0.320 N 
ATOM     19  H   LIG    1       -0.855  -1.012   0.477  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.102   0.298  -0.452  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.379   1.793  -0.352  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -2.104   2.514   0.825  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -2.383   3.879   0.904  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.940   4.528  -0.190  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1       -3.209   5.838  -0.114  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -3.222   3.840  -1.363  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -2.943   2.474  -1.445  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     28  C   LIG    1       -3.210  -0.509   0.304  0.00  0.00    +0.110 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.902  -1.960   0.444  0.00  0.00    -0.306 NA
ATOM     30  C   LIG    1       -2.965  -2.648  -0.850  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -3.853  -2.578   1.374  0.00  0.00    +0.104 C 
ENDBRANCH  28  29
ENDBRANCH  20  28
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 7