REMARK  Name = BDB050702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.400  -0.600  -1.895  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.084  -0.786  -1.689  0.00  0.00    -0.043 A 
ATOM      3  C   LIG    1       -0.558  -1.666  -0.705  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.930  -1.821  -0.497  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.835  -1.083  -1.262  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.375  -0.227  -2.261  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.004  -0.072  -2.469  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -4.198  -1.213  -1.126  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -4.714  -1.135   0.149  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -4.348  -0.135   1.054  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.939  -0.095   2.318  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.902  -1.041   2.669  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.283  -2.024   1.756  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -5.694  -2.067   0.491  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        2.059   0.298  -0.836  0.00  0.00    +0.285 C 
BRANCH  15  17
ATOM     16  O   LIG    1        0.955   2.367  -0.128  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1        1.558   1.732  -0.981  0.00  0.00    +0.346 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.862   2.308  -2.163  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        1.525   3.224  -2.077  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  O   LIG    1        3.474   0.204  -1.031  0.00  0.00    -0.477 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.308   0.618  -0.032  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        5.669   0.473  -0.325  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        6.644   0.854   0.600  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        6.257   1.384   1.826  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        7.451   1.857   2.971  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        4.906   1.535   2.130  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.930   1.152   1.201  0.00  0.00    +0.047 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 8