REMARK  Name = BDB062281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.125  -0.508  -0.299  0.00  0.00    -0.005 C 
ATOM      2  C   LIG    1        0.933  -1.307  -1.081  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        2.246  -1.469  -0.314  0.00  0.00    +0.107 C 
ATOM      4  N   LIG    1        2.804  -0.167   0.034  0.00  0.00    -0.310 N 
ATOM      5  C   LIG    1        1.888   0.962   0.201  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1        0.533   0.465   0.696  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.137   0.036   0.252  0.00  0.00    +0.162 A 
ATOM      8  S   LIG    1        5.306  -1.243   0.315  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        6.566  -0.117   0.613  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        6.021   1.163   0.651  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1        6.876   2.260   0.885  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        8.246   2.045   1.075  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        8.762   0.754   1.032  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       10.451   0.510   1.267  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        7.939  -0.351   0.801  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        4.657   1.230   0.449  0.00  0.00    -0.225 NA
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.141  -1.399   0.448  0.00  0.00    +0.044 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.042  -2.256  -0.450  0.00  0.00    +0.229 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.631  -1.517  -1.519  0.00  0.00    -0.492 OA
BRANCH  19  22
ATOM     20  C   LIG    1       -3.143   0.305  -3.535  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -3.936   0.288  -2.257  0.00  0.00    -0.009 A 
ATOM     22  C   LIG    1       -3.653  -0.648  -1.248  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -4.412  -0.644  -0.073  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -5.428   0.305   0.132  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1       -5.691   1.242  -0.874  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.954   1.232  -2.058  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -6.246   0.294   1.402  0.00  0.00    +0.155 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.460   0.522   2.680  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -4.246   0.596   2.781  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.268   0.613   3.768  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -7.220   0.533   3.570  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8