REMARK  Name = BDB045820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.427  -0.807   0.150  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.709  -0.144   1.150  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.442   0.377   0.879  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.129   0.250  -0.390  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.583  -0.413  -1.388  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.853  -0.938  -1.120  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.804  -1.356   0.432  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.910  -0.293   0.380  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.138   0.144  -1.068  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -4.906   1.252  -1.529  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -5.662  -0.817  -1.858  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -5.792  -0.371  -2.720  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -6.087  -0.873   0.956  0.00  0.00    -0.362 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -7.633   1.022   0.803  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -6.902   0.033   1.704  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -7.908  -0.818   2.474  0.00  0.00    +0.037 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1        1.370   0.808  -0.506  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        2.034   0.775  -1.771  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.803  -0.528  -1.979  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.011  -0.613  -1.121  0.00  0.00    +0.175 A 
ATOM     21  N   LIG    1        5.101   0.199  -1.311  0.00  0.00    -0.192 NA
ATOM     22  C   LIG    1        5.922  -0.212  -0.368  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1        5.409  -1.239   0.376  0.00  0.00    -0.333 OA
ATOM     24  N   LIG    1        4.139  -1.510  -0.136  0.00  0.00    -0.061 NA
BRANCH  22  25
ATOM     25  C   LIG    1        7.259   0.259  -0.024  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        8.002  -0.308   1.022  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        9.279   0.173   1.319  0.00  0.00    +0.042 A 
ATOM     28 CL   LIG    1       10.177  -0.534   2.606  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        9.834   1.218   0.584  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        9.107   1.790  -0.457  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.829   1.313  -0.758  0.00  0.00    +0.013 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11