REMARK  Name = BDB056416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.438  -0.275  -0.076  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -1.644  -1.293   0.437  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.357  -2.522   0.273  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -3.557  -2.210  -0.352  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -4.543  -3.053  -0.710  0.00  0.00    -0.236 NA
ATOM      6  C   LIG    1       -4.266  -4.343  -0.393  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1       -3.106  -4.794   0.227  0.00  0.00    +0.060 A 
ATOM      8 CL   LIG    1       -2.887  -6.465   0.564  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1       -2.117  -3.876   0.573  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -3.583  -0.862  -0.564  0.00  0.00    -0.339 N 
ATOM     11  H   LIG    1       -4.359  -0.384  -0.996  0.00  0.00    +0.167 HD
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -0.548   4.416   0.415  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1       -1.377   3.284   0.077  0.00  0.00    -0.274 N 
ATOM     14  N   LIG    1       -2.508   3.473  -0.627  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1       -3.011   2.241  -0.745  0.00  0.00    +0.144 A 
ATOM     16  C   LIG    1       -2.195   1.262  -0.139  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -1.149   1.975   0.395  0.00  0.00    +0.118 A 
ENDBRANCH   1  16
BRANCH   2  18
ATOM     18  C   LIG    1       -0.319  -1.120   0.997  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        0.759  -0.816   0.155  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        2.037  -0.589   0.688  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        2.225  -0.700   2.072  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.159  -1.042   2.908  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.112  -1.250   2.372  0.00  0.00    +0.008 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.162  -0.140  -0.210  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.030   1.286  -0.499  0.00  0.00    -0.190 NA
ATOM     26  H   LIG    1        2.116   1.612  -0.809  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  S   LIG    1        4.320   2.110  -1.158  0.00  0.00    +0.027 S 
ATOM     28  O   LIG    1        5.502   1.786  -0.392  0.00  0.00    -0.158 OA
ATOM     29  O   LIG    1        3.870   3.473  -1.333  0.00  0.00    -0.158 OA
ATOM     30  C   LIG    1        4.472   1.372  -2.772  0.00  0.00    +0.214 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 5