REMARK  Name = BDB060554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.772  -0.514   0.135  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        1.588  -0.481  -1.250  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        0.298  -0.519  -1.793  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        0.124  -0.476  -3.511  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -0.819  -0.573  -0.956  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -0.642  -0.627   0.428  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        0.646  -0.590   0.968  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        4.279  -0.400   0.165  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1        3.032  -0.478   0.767  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        3.023  -0.513   1.779  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        4.500  -0.359  -1.039  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1        5.395  -0.393   1.201  0.00  0.00    +0.096 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.001   1.294   0.197  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        6.784  -0.154   0.612  0.00  0.00    +0.006 C 
ENDBRANCH  12  14
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   5  15
ATOM     15  O   LIG    1       -2.076  -0.644  -1.519  0.00  0.00    -0.454 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.015   0.248  -1.035  0.00  0.00    +0.136 A 
ATOM     17  C   LIG    1       -4.224  -0.254  -0.500  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -5.199   0.661  -0.024  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -6.395   0.134   0.523  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -6.628  -1.240   0.596  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.673  -2.127   0.124  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.924   2.050  -0.124  0.00  0.00    +0.049 A 
ATOM     23 CL   LIG    1       -6.045   3.251   0.431  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.732   2.520  -0.683  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -4.484  -1.639  -0.418  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -2.780   1.621  -1.146  0.00  0.00    +0.048 A 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5