REMARK  Name = BDB050699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.732   2.665  -1.398  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        1.304   1.704  -0.163  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1        0.433   2.362   0.713  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.866   2.686   0.312  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.315   2.353  -0.971  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -0.444   1.692  -1.846  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        0.853   1.367  -1.444  0.00  0.00    +0.004 A 
BRANCH   2   8
ATOM      8  C   LIG    1        2.700   1.336   0.277  0.00  0.00    +0.035 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.742  -0.054   0.915  0.00  0.00    +0.005 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.160  -0.419   1.357  0.00  0.00    +0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.201  -1.808   1.998  0.00  0.00    -0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1        6.261  -1.428   3.455  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        5.614  -2.267   2.364  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  C   LIG    1       -3.667   1.466  -1.179  0.00  0.00    +0.285 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.108   1.990  -1.153  0.00  0.00    +0.346 C 
ATOM     16  O   LIG    1       -5.894   1.948  -2.087  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -5.459   2.538   0.040  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -4.777   2.486   0.736  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
BRANCH  14  19
ATOM     19  O   LIG    1       -3.470   0.544  -2.262  0.00  0.00    -0.477 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.709  -0.744  -1.873  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1       -2.726  -1.468  -1.199  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -2.974  -2.793  -0.838  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.194  -3.384  -1.169  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -4.499  -5.018  -0.722  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -5.166  -2.664  -1.864  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.919  -1.339  -2.226  0.00  0.00    +0.047 A 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   1  14
TORSDOF 11