REMARK  Name = BDB047837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.573  -1.807  -0.171  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.455  -1.710  -1.135  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        1.059  -2.853  -1.691  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.660  -4.121  -1.267  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.331  -4.256  -0.294  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -0.931  -3.109   0.238  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.848   2.175   2.137  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -2.658   1.518   1.602  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -2.351   0.289   2.367  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -1.128  -0.478   1.809  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.311  -0.758   0.370  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -1.624   0.446  -0.426  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.852   1.171   0.175  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1        1.038  -0.426  -1.584  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        1.680   0.270  -0.583  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        1.640  -0.126   0.351  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        0.951  -0.133  -2.769  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.361   1.506  -0.677  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        2.922   2.054   0.492  0.00  0.00    +0.062 A 
ATOM     20 CL   LIG    1        2.790   1.234   2.013  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        3.603   3.274   0.462  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        3.734   3.964  -0.741  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.185   3.432  -1.906  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.502   2.211  -1.875  0.00  0.00    +0.025 A 
ENDBRANCH  15  18
ENDBRANCH   2  14
BRANCH   4  25
ATOM     25  N   LIG    1        1.293  -5.316  -1.836  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        2.244  -5.151  -2.612  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        0.843  -6.420  -1.498  0.00  0.00    -0.126 OA
ENDBRANCH   4  25
TORSDOF 4