REMARK  Name = BDB015655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.654   1.304  -0.652  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.770   0.100  -1.212  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.622  -0.575  -1.339  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.589  -0.125  -0.976  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.651   1.101  -0.417  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.473   1.878  -0.253  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.010   1.556  -0.026  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.187   2.342   1.055  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.442   2.776   1.462  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.533   3.625   2.640  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.610   2.416   0.795  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.743   2.769   1.108  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.428   1.528  -0.381  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.203   1.133  -0.748  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.900   1.946  -0.524  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        3.613   1.533  -1.124  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.460   2.333   1.003  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        4.682   3.080   0.785  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.381   2.924   1.767  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.938   0.750   1.766  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.811  -0.079   0.828  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        3.118  -1.218   3.170  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        2.728  -0.019   2.316  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1        0.747  -1.833  -1.917  0.00  0.00    -0.422 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.342  -2.665  -1.776  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -0.551  -3.374  -0.584  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1        0.533  -3.240   0.755  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -1.649  -4.225  -0.464  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -2.530  -4.380  -1.535  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.309  -3.693  -2.731  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -1.206  -2.840  -2.872  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1       -0.986  -2.100  -4.160  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7