REMARK  Name = BDB053107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.289   0.700  -0.634  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -1.010   0.034   0.435  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -1.888   1.133   0.972  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -1.665   2.305   0.251  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.329   3.488   0.517  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -3.254   3.482   1.562  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.486   2.310   2.307  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.800   1.125   2.016  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.652   2.027  -0.772  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.241   2.842  -1.575  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.794  -1.189  -0.029  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.711  -1.097  -1.096  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.432  -2.215  -1.525  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.248  -3.441  -0.892  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -4.135  -4.817  -1.420  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -2.352  -3.559   0.166  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.631  -2.440   0.594  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -0.082  -0.284   1.452  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.687   0.280   1.264  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.671   0.041  -1.502  0.00  0.00    +0.146 C 
BRANCH  20  25
ATOM     21  C   LIG    1        5.932  -0.275   0.979  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        4.569  -0.191   0.359  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1        4.101   1.021  -0.161  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.845   1.093  -0.767  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        2.040  -0.049  -0.876  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        2.516  -1.264  -0.367  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.772  -1.335   0.239  0.00  0.00    +0.003 A 
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 4