REMARK  Name = BDB015555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.738  -0.175  -0.431  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.649   1.155  -0.569  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.486   1.731  -0.203  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.555   1.003   0.329  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.352  -0.351   0.406  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.781  -0.969   0.074  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.417   3.204  -0.367  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.721   3.787  -0.794  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.831   5.160  -0.967  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.100   5.700  -1.430  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.229   6.031  -0.725  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        0.185   7.251  -0.848  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.497   5.393  -0.288  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.567   4.065  -0.130  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -1.286  -1.256   0.970  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -0.833  -2.173   0.954  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.766  -1.385   0.165  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -2.626  -2.471  -0.780  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.205  -0.074  -0.267  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.862  -1.920   1.494  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -3.446  -3.276   2.057  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -3.954  -0.871   2.598  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1        2.959  -0.720  -0.815  0.00  0.00    -0.422 OA
BRANCH  23  26
ATOM     24  C   LIG    1        4.199  -2.046   1.375  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        3.642  -2.782   0.190  0.00  0.00    -0.007 A 
ATOM     26  C   LIG    1        3.015  -2.094  -0.865  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1        2.519  -2.793  -1.974  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1        1.815  -1.976  -3.323  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        2.602  -4.185  -2.014  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        3.192  -4.878  -0.957  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        3.710  -4.182   0.137  0.00  0.00    +0.007 A 
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6