REMARK  Name = BDB033091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.067   1.736   0.265  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.050   0.880  -0.335  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.745   0.385   0.833  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.553   1.210   1.929  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.115   1.128   3.010  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.560   2.282   1.547  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.137   0.573  -0.434  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -1.260   0.947   0.558  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1       -1.293   0.397   1.415  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.050   1.006  -1.580  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -6.319  -1.776  -1.806  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.249  -1.555  -0.779  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -4.206  -0.651  -1.027  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.211  -0.404  -0.065  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.278  -1.081   1.162  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -4.323  -1.973   1.424  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -5.306  -2.202   0.459  0.00  0.00    +0.007 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -2.322  -0.890   2.127  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -2.528  -1.458   2.892  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1        2.790  -0.617   0.750  0.00  0.00    +0.144 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.067  -0.079   0.149  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1        4.434  -0.286  -1.189  0.00  0.00    +0.046 A 
ATOM     23 CL   LIG    1        3.454  -1.197  -2.282  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        5.624   0.252  -1.692  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.460   1.007  -0.870  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.107   1.227   0.458  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.921   0.691   0.962  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5