REMARK  Name = BDB030748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.509  -5.202   0.948  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.761  -3.807   0.603  0.00  0.00    -0.309 N 
ATOM      3  C   LIG    1        0.332  -2.926   0.380  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.080  -1.586   0.059  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.180  -0.706  -0.071  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.506  -1.135   0.056  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.731  -2.479   0.342  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.323  -1.116  -0.119  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1       -1.491   0.174  -0.606  0.00  0.00    -0.339 N 
ATOM     10  H   LIG    1       -0.776   0.456  -1.276  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -2.003   1.280   0.190  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1       -3.528   1.284   0.136  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -4.138   0.045   0.771  0.00  0.00    +0.174 C 
ATOM     14  S   LIG    1       -3.970  -1.461  -0.160  0.00  0.00    +0.004 S 
ATOM     15  O   LIG    1       -4.143  -1.134  -1.568  0.00  0.00    -0.169 OA
ATOM     16  O   LIG    1       -4.939  -2.348   0.462  0.00  0.00    -0.169 OA
ATOM     17  C   LIG    1       -2.333  -1.970   0.143  0.00  0.00    +0.174 A 
ATOM     18  C   LIG    1        1.661  -3.363   0.505  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -2.084  -3.373   0.557  0.00  0.00    +0.278 A 
ATOM     20  O   LIG    1       -3.007  -4.129   0.850  0.00  0.00    -0.266 OA
ENDROOT
BRANCH  11  21
ATOM     21  C   LIG    1       -1.342   2.547  -0.305  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -2.063   3.849  -0.577  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -1.536   3.034  -1.724  0.00  0.00    +0.005 C 
ENDBRANCH  11  21
BRANCH   6  24
ATOM     24  N   LIG    1        3.608  -0.263  -0.032  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        4.448  -0.723  -0.380  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.712   1.134   0.161  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        4.609   1.914  -0.592  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        4.617   3.287  -0.382  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1        5.656   4.366  -1.233  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1        3.818   3.929   0.501  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1        2.972   3.167   1.216  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        2.881   1.792   1.078  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1        5.483   1.315  -1.548  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        6.182   0.771  -2.297  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 4