REMARK  Name = BDB015536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.439   1.895  -0.018  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.196   0.816  -0.272  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.703  -0.387   0.081  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.521  -0.513   0.698  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.222   0.654   0.868  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.770   1.870   0.555  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.589  -1.546  -0.201  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.069  -2.744  -0.530  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.863  -3.845  -0.810  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.207  -5.098  -1.153  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.256  -3.793  -0.789  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.987  -4.753  -1.023  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.853  -2.459  -0.462  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.345  -2.364  -0.469  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.041  -1.425  -0.194  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.483   0.727   1.517  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.723   1.722   1.539  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.739  -0.114   0.750  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.223   0.747  -0.305  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.311  -1.472   0.490  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.940  -0.150   2.077  0.00  0.00    +0.191 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.163  -1.024   1.769  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        7.065  -0.411   0.697  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        6.971  -1.242   3.051  0.00  0.00    +0.009 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  25
ATOM     25  O   LIG    1       -0.902   3.166  -0.342  0.00  0.00    -0.423 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -3.086   3.489   1.486  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -3.268   3.415  -0.003  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -2.174   3.232  -0.868  0.00  0.00    +0.138 A 
ATOM     29  C   LIG    1       -2.346   3.189  -2.263  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -1.179   3.017  -3.192  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -3.645   3.258  -2.782  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -4.742   3.401  -1.931  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -4.555   3.482  -0.551  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 7