REMARK  Name = BDB051499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.257  -0.241  -0.934  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        2.110  -1.490   0.238  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1        0.918  -2.186  -0.697  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.052  -3.370  -0.556  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1       -0.599  -3.439  -1.981  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -0.377  -2.044  -2.674  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1        0.694  -1.460  -1.829  0.00  0.00    +0.066 A 
ATOM      8  N   LIG    1        1.453  -0.339  -1.980  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1        4.052   1.225   0.055  0.00  0.00    +0.235 C 
ATOM     10  N   LIG    1        3.137   0.801  -0.851  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1        3.106   1.390  -1.675  0.00  0.00    +0.157 HD
ATOM     12  O   LIG    1        4.708   2.230  -0.264  0.00  0.00    -0.274 OA
BRANCH   9  13
ATOM     13  C   LIG    1        4.276   0.581   1.437  0.00  0.00    +0.137 C 
ATOM     14  C   LIG    1        3.223   1.107   2.411  0.00  0.00    +0.034 C 
BRANCH  13  16
ATOM     15  C   LIG    1        6.685   0.211   1.339  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1        5.609   0.963   1.976  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1        5.746   1.956   1.760  0.00  0.00    +0.122 HD
ENDBRANCH  13  16
ENDBRANCH   9  13
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1       -1.668  -1.237  -2.688  0.00  0.00    +0.222 C 
ATOM     19  N   LIG    1       -2.052  -0.669  -1.494  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -1.365  -0.568  -0.759  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.371  -1.182  -3.697  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.226   0.186  -1.387  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -3.646   0.240   0.070  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -3.373   1.361   0.877  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -3.755   1.346   2.228  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.380   0.228   2.779  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.638  -0.886   1.986  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.743   2.611   0.314  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -2.056   2.396  -1.032  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -4.273  -0.881   0.641  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -2.949   1.583  -1.965  0.00  0.00    +0.027 C 
ENDBRANCH  19  22
ENDBRANCH   6  18
TORSDOF 5