REMARK  Name = BDB015489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.915   1.092  -0.583  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.298  -0.058  -0.853  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.041  -0.006  -0.845  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.773   1.081  -0.570  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.098   2.204  -0.255  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.280   2.265  -0.262  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.933   3.387   0.062  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.633   4.158   1.124  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.388   5.270   1.465  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -1.989   6.044   2.631  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.517   5.662   0.745  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.201   6.646   1.016  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.881   4.793  -0.421  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.104   5.174  -1.191  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.116   3.729  -0.711  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.324   1.001  -0.576  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        2.838   1.844  -0.825  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.991   0.307   0.802  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.372   0.744   0.801  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.131   0.583   1.932  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.954  -1.444   0.408  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.707  -2.257   1.455  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.102  -4.284  -0.044  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.547  -3.767   1.274  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -1.777  -1.145  -1.159  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.057  -2.310  -1.286  0.00  0.00    +0.149 A 
ATOM     27  C   LIG    1       -0.434  -2.663  -2.488  0.00  0.00    +0.094 A 
ATOM     28  C   LIG    1        0.255  -3.880  -2.566  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        0.305  -4.736  -1.462  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.327  -4.387  -0.262  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1       -0.314  -5.326   0.908  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -1.025  -3.175  -0.186  0.00  0.00    +0.051 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -0.487  -1.809  -3.637  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -0.519  -1.124  -4.574  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9