REMARK  Name = BDB048163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.599   3.413  -0.607  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.413   2.725  -0.321  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.442   1.345  -0.111  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.663   0.624  -0.185  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.837   1.326  -0.474  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        2.807   2.708  -0.682  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        1.627  -0.772   0.015  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.658  -1.560  -1.238  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        3.079  -2.024  -1.627  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.844  -2.692  -0.553  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        3.313  -4.021  -0.257  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        3.848  -1.830   0.647  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.469  -1.304   1.108  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1       -0.699   0.572   0.195  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -0.466  -0.411   0.320  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -2.003   0.981   0.332  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1       -2.435   2.124   0.236  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -2.959  -0.088   0.711  0.00  0.00    +0.057 A 
ATOM     19  C   LIG    1       -3.085  -1.308   0.024  0.00  0.00    +0.059 A 
ATOM     20 CL   LIG    1       -2.155  -1.630  -1.406  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1       -3.996  -2.279   0.480  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.158  -3.610  -0.199  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -4.781  -1.981   1.602  0.00  0.00    +0.148 A 
ATOM     24  F   LIG    1       -5.648  -2.900   2.062  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -4.719  -0.741   2.256  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1       -3.773   0.184   1.824  0.00  0.00    +0.040 A 
BRANCH  25  27
ATOM     27  N   LIG    1       -5.427  -0.518   3.447  0.00  0.00    -0.356 N 
ATOM     28  H   LIG    1       -6.250  -1.113   3.535  0.00  0.00    +0.142 HD
ATOM     29  H   LIG    1       -5.626   0.458   3.643  0.00  0.00    +0.142 HD
ENDBRANCH  25  27
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  30
ATOM     30  C   LIG    1        1.636   4.884  -0.840  0.00  0.00    +0.339 C 
ATOM     31  O   LIG    1        2.663   5.497  -1.089  0.00  0.00    -0.245 OA
BRANCH  30  33
ATOM     32  C   LIG    1        0.354   6.833  -0.949  0.00  0.00    +0.280 C 
ATOM     33  O   LIG    1        0.397   5.422  -0.736  0.00  0.00    -0.464 OA
ENDBRANCH  30  33
ENDBRANCH   1  30
TORSDOF 6