REMARK  Name = BDB017120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.809  -1.051  -0.566  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        0.972  -0.748   0.789  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.258  -0.661   1.330  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        3.375  -0.876   0.520  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        3.213  -1.225  -0.823  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.929  -1.311  -1.366  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.760  -2.194  -1.842  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.532  -1.175  -1.188  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.589  -0.086  -1.027  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -2.607  -0.489   0.047  0.00  0.00    +0.095 C 
ATOM     11  N   LIG    1       -3.700   0.495   0.160  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -3.181   1.841   0.444  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -2.216   2.307  -0.647  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -1.055   1.331  -0.804  0.00  0.00    +0.014 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -4.687   0.110   1.180  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.483  -1.085   0.738  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -6.437  -0.986  -0.427  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -6.974  -1.141   0.968  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  O   LIG    1        4.606  -0.808   1.133  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.614  -0.162   0.455  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.458   1.122  -0.074  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        6.530   1.739  -0.720  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.756   1.080  -0.822  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.916  -0.193  -0.272  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.845  -0.812   0.374  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6