REMARK  Name = BDB063054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.355   1.767   0.415  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.951   1.270   0.467  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.844   1.553  -0.577  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.439   2.343  -1.659  0.00  0.00    +0.053 A 
ATOM      5 CL   LIG    1       -2.465   2.680  -3.005  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -0.139   2.860  -1.688  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        0.755   2.582  -0.649  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.856   1.606   2.693  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.265   1.478   1.545  0.00  0.00    +0.244 C 
ATOM     10  N   LIG    1        2.545   1.044   1.305  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        3.027   0.817   2.168  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.010   0.371   0.110  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.388  -0.200   0.317  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        4.555  -1.541   0.693  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.833  -2.062   0.907  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.950  -1.243   0.755  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        8.524  -1.885   1.020  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        6.799   0.095   0.396  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.521   0.616   0.181  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -3.223   1.028  -0.480  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1       -3.291  -0.352  -0.480  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1       -2.422  -0.859  -0.588  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -4.140   1.831  -0.390  0.00  0.00    -0.270 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.452  -1.148  -0.380  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1       -5.741  -0.632  -0.241  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -6.842  -1.491  -0.145  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -6.662  -2.871  -0.188  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.380  -3.396  -0.326  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.281  -2.538  -0.421  0.00  0.00    +0.023 A 
ENDBRANCH  21  24
ENDBRANCH   3  20
TORSDOF 5