REMARK  Name = BDB015609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.520  -1.746   0.047  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.145  -0.557  -0.008  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.381   0.546   0.106  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.980   0.470   0.301  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.508  -0.797   0.316  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.793  -1.921   0.231  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.081   1.855   0.036  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        0.478   3.075  -0.498  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.139   4.247  -0.543  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.568   5.514  -1.091  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        2.543   4.301  -0.036  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        3.199   5.337  -0.034  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1        3.055   3.114   0.424  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1        4.012   3.148   0.752  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        2.359   1.931   0.458  0.00  0.00    +0.096 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -2.877  -1.078   0.564  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -2.952  -2.099   0.561  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.974  -0.458  -0.561  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -4.093  -1.446  -1.610  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -3.631   0.915  -0.870  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -5.507  -0.441   0.389  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -5.928  -1.846   0.808  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -5.406   0.486   1.597  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1        1.259  -2.921  -0.038  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1        3.082  -2.996   2.152  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        3.527  -2.825   0.728  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1        2.597  -2.769  -0.325  0.00  0.00    +0.153 A 
ATOM     28  C   LIG    1        3.030  -2.627  -1.651  0.00  0.00    +0.084 A 
ATOM     29 CL   LIG    1        1.920  -2.629  -2.973  0.00  0.00    -0.080 Cl
ATOM     30  C   LIG    1        4.391  -2.491  -1.927  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        5.319  -2.511  -0.886  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        4.890  -2.678   0.432  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6