REMARK  Name = BDB015508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.177  -1.432  -0.436  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        2.665  -0.240  -0.789  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        1.770   0.752  -0.838  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.468   0.628  -0.546  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.026  -0.583  -0.161  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.875  -1.662  -0.059  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.421  -0.678   0.166  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.054   0.434   0.588  0.00  0.00    +0.099 A 
ATOM      9  N   LIG    1       -3.403   0.441   0.895  0.00  0.00    -0.307 N 
ATOM     10  C   LIG    1       -4.183  -0.708   0.886  0.00  0.00    +0.255 A 
ATOM     11  O   LIG    1       -5.346  -0.753   1.280  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -3.518  -1.937   0.347  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.372  -3.155   0.199  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -2.217  -1.887   0.011  0.00  0.00    +0.020 A 
BRANCH   9  15
ATOM     15  C   LIG    1       -3.909   1.748   1.396  0.00  0.00    +0.141 C 
ATOM     16  C   LIG    1       -5.376   2.105   1.080  0.00  0.00    +0.187 C 
ATOM     17  O   LIG    1       -4.988   3.455   0.697  0.00  0.00    -0.376 OA
ATOM     18  C   LIG    1       -3.619   2.997   0.540  0.00  0.00    +0.187 C 
ENDBRANCH   9  15
ENDBRANCH   5   7
BRANCH   1  19
ATOM     19  N   LIG    1        3.214  -2.387  -0.324  0.00  0.00    -0.204 N 
ATOM     20  H   LIG    1        4.090  -1.982  -0.662  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.000  -3.920  -0.966  0.00  0.00    +0.044 S 
ATOM     22  O   LIG    1        1.677  -4.032  -1.544  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        4.183  -4.202  -1.749  0.00  0.00    -0.155 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.037  -4.939   0.503  0.00  0.00    +0.188 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.042  -3.974   1.762  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        4.420  -5.188   1.092  0.00  0.00    +0.021 C 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   3  27
ATOM     27  O   LIG    1        2.280   1.993  -1.210  0.00  0.00    -0.423 OA
BRANCH  27  28
ATOM     28  C   LIG    1        1.403   3.053  -1.112  0.00  0.00    +0.138 A 
ATOM     29  C   LIG    1        1.334   3.780   0.090  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1        2.175   3.413   1.279  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1        0.421   4.838   0.184  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -0.377   5.184  -0.907  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -0.270   4.481  -2.107  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1        0.635   3.418  -2.231  0.00  0.00    -0.008 A 
ATOM     35  C   LIG    1        0.723   2.661  -3.525  0.00  0.00    +0.047 C 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 8