REMARK  Name = BDB001988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.357   0.511  -0.211  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        0.892   0.011   0.086  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        1.095  -0.943   0.338  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.809   1.028   0.013  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        1.053   2.138  -0.331  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        1.692   3.373  -0.490  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.082   3.448  -0.297  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        3.832   2.318   0.048  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        3.192   1.075   0.214  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.271   1.807  -0.456  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.023  -1.742  -0.241  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -2.789  -2.403  -0.285  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.585  -1.685  -0.275  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -1.589  -0.286  -0.223  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.827   0.368  -0.193  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.031  -0.350  -0.199  0.00  0.00    +0.024 A 
BRANCH  11  19
ATOM     17  O   LIG    1       -6.848  -0.980   0.080  0.00  0.00    -0.269 OA
ATOM     18  C   LIG    1       -6.505  -2.138  -0.137  0.00  0.00    +0.255 C 
ATOM     19  N   LIG    1       -5.182  -2.546  -0.260  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -5.023  -3.541  -0.308  0.00  0.00    +0.155 HD
BRANCH  18  21
ATOM     21  C   LIG    1       -7.468  -3.235  -0.264  0.00  0.00    +0.074 A 
ATOM     22  S   LIG    1       -9.045  -3.034   0.393  0.00  0.00    -0.092 S 
ATOM     23  C   LIG    1       -9.531  -4.596  -0.099  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -8.529  -5.261  -0.767  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -7.342  -4.476  -0.867  0.00  0.00    +0.021 A 
ENDBRANCH  18  21
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   8  26
ATOM     26  N   LIG    1        5.228   2.337   0.264  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1        5.640   1.451   0.518  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1        6.109   3.397   0.088  0.00  0.00    +0.255 C 
ATOM     29  O   LIG    1        5.785   4.494  -0.357  0.00  0.00    -0.269 OA
BRANCH  28  30
ATOM     30  C   LIG    1        7.489   3.078   0.465  0.00  0.00    +0.074 A 
ATOM     31  S   LIG    1        8.767   4.026  -0.186  0.00  0.00    -0.092 S 
ATOM     32  C   LIG    1        9.959   3.120   0.636  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1        9.408   2.124   1.408  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        7.984   2.102   1.315  0.00  0.00    +0.021 A 
ENDBRANCH  28  30
ENDBRANCH   8  26
TORSDOF 5