REMARK  Name = BDB002614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.075  -0.387   0.556  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.325   0.078  -0.258  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.792  -1.116   1.344  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1        0.466  -1.964   2.170  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -2.234  -1.332   2.801  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1       -2.396  -0.791   1.417  0.00  0.00    +0.059 A 
ATOM      7  N   LIG    1       -3.699  -0.603   0.909  0.00  0.00    -0.282 N 
ATOM      8  C   LIG    1       -4.564  -1.796   0.833  0.00  0.00    +0.171 C 
ATOM      9  N   LIG    1       -3.538   0.056  -0.344  0.00  0.00    -0.216 N 
ATOM     10  C   LIG    1       -2.175   0.189  -0.615  0.00  0.00    +0.293 A 
ATOM     11  O   LIG    1       -1.582   0.710  -1.550  0.00  0.00    -0.264 OA
ATOM     12  C   LIG    1       -1.444  -0.393   0.557  0.00  0.00    +0.121 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.575   0.841  -0.912  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -4.442   1.383  -2.198  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -5.465   2.151  -2.765  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.635   2.394  -2.052  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.781   1.873  -0.770  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.758   1.104  -0.206  0.00  0.00    +0.028 A 
ENDBRANCH   9  13
ENDBRANCH   1  12
BRANCH   3  19
ATOM     19  C   LIG    1        2.251  -0.788   1.082  0.00  0.00    +0.172 C 
BRANCH  19  20
ATOM     20  S   LIG    1        2.797  -1.645  -0.420  0.00  0.00    -0.089 S 
BRANCH  20  21
ATOM     21  C   LIG    1        4.447  -1.069  -0.522  0.00  0.00    +0.136 A 
ATOM     22  S   LIG    1        5.511  -1.579  -1.760  0.00  0.00    -0.061 S 
ATOM     23  C   LIG    1        6.747  -0.574  -1.106  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        6.247   0.080   0.023  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1        7.093   0.963   0.724  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        8.404   1.168   0.282  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        8.880   0.504  -0.844  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.062  -0.377  -1.557  0.00  0.00    +0.017 A 
ATOM     29  N   LIG    1        4.932  -0.211   0.345  0.00  0.00    -0.233 NA
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5