REMARK  Name = BDB055874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.633   2.284  -1.246  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.863   2.090  -1.056  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -1.655   3.001  -1.300  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -1.286   0.819  -0.675  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.388  -0.202  -0.083  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        1.134   0.102  -0.189  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.388   1.609  -0.106  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.668  -1.592  -0.657  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.843  -2.688   0.203  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.079  -3.965  -0.312  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.139  -4.155  -1.691  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.428  -5.728  -2.325  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.964  -3.081  -2.559  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.727  -1.804  -2.045  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        1.957  -0.654   0.850  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        1.853  -0.377   2.223  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.607  -1.102   3.148  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        2.460  -0.751   4.827  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        3.470  -2.108   2.726  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.581  -2.394   1.367  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.829  -1.673   0.436  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.986   3.776  -1.348  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        3.043   3.154  -2.508  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        2.342   3.988  -1.961  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        2.747   5.268  -1.864  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        3.620   5.284  -2.308  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -2.730   0.641  -0.481  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.144   1.057   0.901  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.495   0.644   1.430  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -3.247   0.059   2.028  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7