REMARK  Name = BDB015802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.484  -0.220  -1.207  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.419  -1.162  -1.487  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.489  -1.177  -0.683  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.695  -0.350   0.355  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.759   0.592   0.582  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.359   0.716  -0.212  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.036   1.512   1.712  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.037   1.913   2.523  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.251   2.767   3.597  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.887   3.143   4.421  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.515   3.252   3.924  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.764   4.007   4.859  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.625   2.793   3.051  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.382   1.973   2.021  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.554  -0.235  -2.139  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.331  -0.983  -2.801  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.084  -0.543  -1.485  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.241   0.231  -0.271  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.256  -1.978  -1.489  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.165   0.184  -2.748  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        3.939  -0.471  -4.109  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.612   0.808  -3.177  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        5.627   0.070  -2.281  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       -2.408  -2.184  -0.953  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.645  -2.041  -0.369  0.00  0.00    +0.172 A 
ATOM     26  C   LIG    1       -4.044  -2.946   0.625  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -3.125  -4.025   1.114  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -5.313  -2.780   1.189  0.00  0.00    +0.130 A 
ATOM     29  F   LIG    1       -5.724  -3.605   2.162  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.179  -1.772   0.764  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -5.782  -0.899  -0.247  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1       -4.519  -1.042  -0.812  0.00  0.00    +0.166 A 
ATOM     33  F   LIG    1       -4.150  -0.206  -1.793  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7