REMARK  Name = BDB002652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.043   0.180   0.569  0.00  0.00    +0.347 C 
ATOM      2  O   LIG    1       -0.641   0.626   1.632  0.00  0.00    -0.244 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.477   0.041   0.259  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -3.046  -1.151  -0.206  0.00  0.00    +0.056 A 
ATOM      5 CL   LIG    1       -2.137  -2.604  -0.411  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.417  -1.205  -0.482  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -5.212  -0.078  -0.279  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1       -6.896  -0.150  -0.618  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -4.656   1.105   0.205  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.288   1.165   0.480  0.00  0.00    +0.018 A 
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  O   LIG    1       -0.325  -0.137  -0.558  0.00  0.00    -0.404 OA
BRANCH  11  18
ATOM     12  C   LIG    1        3.876   2.272   0.188  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        3.071   1.030  -0.044  0.00  0.00    +0.045 A 
ATOM     14  N   LIG    1        3.742  -0.137  -0.143  0.00  0.00    -0.237 NA
ATOM     15  C   LIG    1        3.015  -1.252  -0.350  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        3.756  -2.544  -0.498  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1        1.680  -1.282  -0.482  0.00  0.00    -0.198 NA
ATOM     18  C   LIG    1        1.056  -0.101  -0.347  0.00  0.00    +0.227 A 
ATOM     19  C   LIG    1        1.700   1.101  -0.155  0.00  0.00    +0.090 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
TORSDOF 3