REMARK  Name = BDB033989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.619   1.173   1.498  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.421   3.404   1.906  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.516   2.035   1.843  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        1.437   1.593   1.904  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.630   4.008   1.720  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        1.621   5.585   2.300  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        1.742   4.073   2.227  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.950   1.287  -0.005  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.025   0.336  -0.438  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1       -3.670   0.820  -0.439  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -4.130  -0.736  -1.013  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -2.985  -1.522  -1.161  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -3.124  -2.846  -1.624  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -4.397  -3.347  -1.923  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -5.520  -2.541  -1.766  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -7.076  -3.178  -2.140  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -5.413  -1.226  -1.310  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1       -1.792  -0.902  -0.827  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1       -0.337  -0.277   1.964  0.00  0.00    +0.127 C 
BRANCH  19  20
ATOM     20  N   LIG    1        0.566  -1.010   1.091  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.128  -1.632   0.420  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        1.915  -0.750   1.024  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.474   0.064   1.753  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        2.688  -1.498  -0.004  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        4.040  -1.763   0.249  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        4.807  -2.455  -0.689  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.230  -2.877  -1.886  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.888  -2.602  -2.152  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.116  -1.910  -1.216  0.00  0.00    +0.013 A 
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7