REMARK  Name = BDB055746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.158  -1.878   0.844  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.352  -1.359   0.281  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.530  -2.115   0.357  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.530  -3.363   0.982  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.342  -3.861   1.535  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.152  -3.125   1.470  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.310  -0.083  -0.330  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.653  -0.077  -1.775  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        2.927   0.746  -2.073  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        2.846   2.150  -1.614  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        4.176   2.748  -1.547  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        2.122   2.265  -0.327  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.012   0.948   0.472  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.261  -1.280   1.152  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -0.981  -1.056   0.706  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.770  -0.191   0.210  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -2.658  -2.265   1.765  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1       -3.912   3.531   0.621  0.00  0.00    +0.045 C 
ATOM     19  C   LIG    1       -4.069   2.039   0.495  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -3.063   1.140   0.911  0.00  0.00    +0.056 A 
ATOM     21 CL   LIG    1       -1.620   1.777   1.635  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -3.260  -0.244   0.771  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -4.472  -0.727   0.251  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -5.468   0.157  -0.155  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.266   1.530  -0.038  0.00  0.00    +0.005 A 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        1.351  -5.176   2.190  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        2.448  -5.740   2.326  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        0.270  -5.650   2.564  0.00  0.00    -0.126 OA
ENDBRANCH   5  26
TORSDOF 4