REMARK  Name = BDB062285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.222   1.619  -0.452  0.00  0.00    -0.005 C 
ATOM      2  C   LIG    1        0.404   0.106  -0.292  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        1.781  -0.338  -0.790  0.00  0.00    +0.107 C 
ATOM      4  N   LIG    1        2.848   0.414  -0.113  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        2.718   1.878  -0.195  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1        1.346   2.334   0.305  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.136  -0.063  -0.181  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        4.532  -1.752  -0.157  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        6.207  -1.392  -0.237  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        6.366  -0.010  -0.267  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        7.670   0.524  -0.330  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        8.772  -0.337  -0.363  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        8.583  -1.714  -0.333  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1        9.952  -2.758  -0.374  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.303  -2.271  -0.269  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        5.194   0.720  -0.229  0.00  0.00    -0.225 NA
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.185   2.127  -0.074  0.00  0.00    +0.044 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.610   2.010   1.394  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.715   0.663   1.844  0.00  0.00    -0.492 OA
BRANCH  19  24
ATOM     20  C   LIG    1       -6.042  -2.817   0.623  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -4.946  -1.833   0.930  0.00  0.00    -0.047 A 
ATOM     22  C   LIG    1       -5.045  -0.469   0.588  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -3.969   0.398   0.880  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -2.822  -0.069   1.520  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -2.749  -1.412   1.883  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -3.796  -2.287   1.590  0.00  0.00    +0.007 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -6.259   0.101  -0.114  0.00  0.00    +0.156 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.186   0.050  -1.627  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -5.210  -0.254  -2.293  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.356   0.419  -2.210  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -8.064   0.649  -1.580  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8