REMARK  Name = BDB055759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585  -1.469   0.178  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.767  -1.766  -0.137  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.150  -3.072  -0.448  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.185  -4.088  -0.442  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.153  -3.810  -0.130  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.532  -2.502   0.178  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.451   1.827  -0.388  0.00  0.00    +0.104 C 
ATOM      8  N   LIG    1       -3.260   2.265   0.333  0.00  0.00    -0.304 NA
ATOM      9  C   LIG    1       -2.009   1.987  -0.390  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -1.653   0.507  -0.650  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -0.936  -0.126   0.473  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -1.411   0.073   1.851  0.00  0.00    +0.106 C 
ATOM     13  C   LIG    1       -2.902   0.357   1.995  0.00  0.00    +0.034 C 
ATOM     14  C   LIG    1       -3.255   1.823   1.727  0.00  0.00    +0.085 C 
ENDBRANCH   1  11
BRANCH   2  15
ATOM     15  N   LIG    1        1.652  -0.668  -0.101  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        1.185   0.191   0.183  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        3.002  -0.643  -0.363  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1        3.688  -1.595  -0.716  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.652   0.694  -0.275  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        3.401   1.637   0.731  0.00  0.00    +0.053 A 
ATOM     21 CL   LIG    1        2.332   1.354   2.058  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        4.064   2.872   0.708  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        4.980   3.167  -0.302  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.248   2.226  -1.293  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.591   0.995  -1.277  0.00  0.00    +0.014 A 
ENDBRANCH  17  19
ENDBRANCH   2  15
BRANCH   4  26
ATOM     26  N   LIG    1        0.576  -5.466  -0.767  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1       -0.294  -6.345  -0.671  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        1.744  -5.674  -1.120  0.00  0.00    -0.126 OA
ENDBRANCH   4  26
TORSDOF 4