REMARK  Name = BDB047434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.294   0.063   1.425  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1        1.236  -1.256   0.903  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.051  -1.421   0.376  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -0.453  -2.662  -0.168  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.473  -3.707  -0.222  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        1.759  -3.552   0.272  0.00  0.00    +0.021 A 
ATOM      7 CL   LIG    1       -0.001  -5.218  -0.898  0.00  0.00    -0.083 Cl
ATOM      8  N   LIG    1       -0.758  -0.232   0.596  0.00  0.00    -0.300 N 
ATOM      9  C   LIG    1        2.145  -2.338   0.846  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.074   0.680   1.233  0.00  0.00    +0.175 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.136  -0.030   0.283  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -2.986   0.578   1.210  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -4.337   0.767   0.899  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -4.876   0.365  -0.339  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -3.999  -0.237  -1.256  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -2.646  -0.434  -0.952  0.00  0.00    +0.026 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.368   0.592  -0.641  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -7.228  -0.161   0.396  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.688   2.101  -0.568  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -6.804   0.101  -2.040  0.00  0.00    +0.015 C 
ENDBRANCH  14  17
ENDBRANCH   8  11
BRANCH  10  21
ATOM     21  C   LIG    1       -0.237   2.039   1.563  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1       -0.018   2.631   2.608  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -0.794   2.684   0.517  0.00  0.00    -0.476 OA
ATOM     24  H   LIG    1       -0.926   3.592   0.856  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  10  21
BRANCH   1  25
ATOM     25  O   LIG    1        2.317   0.704   2.041  0.00  0.00    -0.453 OA
BRANCH  25  28
ATOM     26  C   LIG    1        5.352   0.396  -0.055  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1        4.007   0.573   0.303  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        3.618   0.520   1.645  0.00  0.00    +0.129 A 
ATOM     29  C   LIG    1        4.568   0.337   2.647  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        5.907   0.163   2.305  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.295   0.186   0.963  0.00  0.00    +0.004 A 
BRANCH  26  33
ATOM     32  C   LIG    1        6.304  -0.917  -1.981  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        5.751   0.433  -1.520  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        6.748   1.559  -1.807  0.00  0.00    +0.012 C 
ENDBRANCH  26  33
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 7