REMARK  Name = BDB009994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.754   0.102   1.577  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1        0.584   0.485   1.571  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1        1.328   0.402   2.734  0.00  0.00    +0.184 A 
ATOM      4  N   LIG    1        2.617   0.793   2.534  0.00  0.00    -0.206 NA
ATOM      5  C   LIG    1        2.696   1.147   1.264  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        0.847  -0.010   3.914  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -0.455  -0.321   3.856  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        1.462   1.015   0.646  0.00  0.00    -0.314 N 
ATOM      9  N   LIG    1       -1.257  -0.280   2.767  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.917   1.591   0.638  0.00  0.00    +0.144 A 
ATOM     11  S   LIG    1        5.317   1.989   1.560  0.00  0.00    -0.073 S 
ATOM     12  C   LIG    1        6.166   2.338   0.114  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        5.341   2.128  -0.968  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.061   1.704  -0.668  0.00  0.00    -0.244 NA
ENDBRANCH   5  10
BRANCH   1  15
ATOM     15  N   LIG    1       -1.551   0.107   0.441  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1       -1.048  -0.190  -0.387  0.00  0.00    +0.148 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -2.758  -2.033   0.469  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -2.877  -0.509   0.524  0.00  0.00    +0.072 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.689   0.107  -0.595  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -3.554  -0.315  -2.040  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.830  -0.594  -1.293  0.00  0.00    +0.005 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   7  22
ATOM     22  C   LIG    1       -1.116  -0.784   5.128  0.00  0.00    +0.375 C 
ATOM     23  O   LIG    1       -2.279  -1.131   5.262  0.00  0.00    -0.242 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -0.285  -0.795   6.195  0.00  0.00    -0.475 OA
ATOM     25  H   LIG    1       -0.845  -1.112   6.933  0.00  0.00    +0.296 HD
ENDBRANCH  22  24
ENDBRANCH   7  22
BRANCH   8  26
ATOM     26  C   LIG    1        1.098   1.512  -0.677  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.010   0.437  -1.739  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1        0.041   0.565  -2.751  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -0.070  -0.393  -3.762  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        0.795  -1.482  -3.782  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        0.657  -2.663  -5.024  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        1.776  -1.615  -2.804  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        1.889  -0.656  -1.792  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 8