REMARK  Name = BDB015812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.034   0.329   0.262  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        2.232   1.273   0.789  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.914   1.063   0.694  0.00  0.00    +0.326 A 
ATOM      4  O   LIG    1        0.119   2.055   1.257  0.00  0.00    -0.422 OA
ATOM      5  C   LIG    1       -1.164   2.123   0.767  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1       -2.230   1.516   1.445  0.00  0.00    +0.125 A 
ATOM      7 CL   LIG    1       -1.927   0.644   2.914  0.00  0.00    -0.076 Cl
ATOM      8  C   LIG    1       -3.534   1.603   0.923  0.00  0.00    +0.144 A 
ATOM      9  O   LIG    1       -4.517   0.957   1.625  0.00  0.00    -0.490 OA
ATOM     10  C   LIG    1       -5.817   0.793   1.056  0.00  0.00    +0.233 C 
ATOM     11  C   LIG    1       -5.860  -0.291  -0.030  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1       -5.492  -1.653   0.499  0.00  0.00    -0.028 C 
ATOM     13  C   LIG    1       -4.495  -2.454   0.092  0.00  0.00    -0.029 C 
ATOM     14  C   LIG    1       -3.492  -2.205  -1.002  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1       -2.076  -2.123  -0.447  0.00  0.00    +0.192 C 
ATOM     16  S   LIG    1       -0.898  -1.924  -1.782  0.00  0.00    +0.045 S 
ATOM     17  N   LIG    1        0.575  -2.040  -0.990  0.00  0.00    -0.204 N 
ATOM     18  H   LIG    1        1.182  -2.708  -1.460  0.00  0.00    +0.175 HD
ATOM     19  C   LIG    1        1.164  -0.873  -0.454  0.00  0.00    +0.145 A 
ATOM     20  O   LIG    1       -0.952  -3.124  -2.595  0.00  0.00    -0.155 OA
ATOM     21  O   LIG    1       -1.034  -0.621  -2.393  0.00  0.00    -0.155 OA
ATOM     22  C   LIG    1       -3.749   2.335  -0.250  0.00  0.00    +0.067 A 
ATOM     23  C   LIG    1       -2.679   2.955  -0.900  0.00  0.00    +0.048 A 
ATOM     24 CL   LIG    1       -2.968   3.860  -2.336  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -1.387   2.858  -0.398  0.00  0.00    +0.068 A 
ATOM     26  N   LIG    1        0.337  -0.005   0.126  0.00  0.00    -0.178 NA
ATOM     27  C   LIG    1        2.534  -0.782  -0.386  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  34
ATOM     28  C   LIG    1        7.533  -1.358   1.204  0.00  0.00    +0.152 C 
ATOM     29  N   LIG    1        6.699  -0.221   0.844  0.00  0.00    -0.318 N 
ATOM     30  C   LIG    1        7.297   1.024   0.658  0.00  0.00    +0.251 A 
ATOM     31  O   LIG    1        8.500   1.252   0.752  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1        6.373   2.137   0.326  0.00  0.00    +0.071 A 
ATOM     33  C   LIG    1        5.059   1.912   0.206  0.00  0.00    +0.017 A 
ATOM     34  C   LIG    1        4.490   0.584   0.384  0.00  0.00    +0.017 A 
ATOM     35  C   LIG    1        5.331  -0.416   0.713  0.00  0.00    +0.098 A 
ENDBRANCH   1  34
TORSDOF 1