REMARK  Name = BDB023380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.975   1.268   3.139  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.376   1.784   3.923  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.329   1.750   2.896  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.722   2.694   3.568  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.149   0.992   1.973  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.355   1.538   1.605  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.957   0.673   0.748  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        2.166  -0.448   0.564  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.646  -1.449  -0.288  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.883  -1.288  -0.922  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        4.670  -0.137  -0.734  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        1.935  -2.564  -0.501  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.196   0.866   0.135  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        1.010  -0.243   1.361  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        6.008   0.009  -1.421  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        6.290   1.225  -2.273  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        6.103  -0.111  -2.925  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -2.140   1.309   1.920  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -3.240   2.061   2.483  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -1.472   1.704   0.701  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.253  -0.848   0.612  0.00  0.00    +0.147 A 
ATOM     22  C   LIG    1       -2.672  -0.383   1.800  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.485  -1.244   2.893  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -2.860  -2.582   2.796  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.423  -3.057   1.615  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.623  -2.196   0.532  0.00  0.00    +0.047 A 
BRANCH  21  27
ATOM     27  O   LIG    1       -3.450   0.060  -0.387  0.00  0.00    -0.490 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.944  -0.401  -1.643  0.00  0.00    +0.229 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -4.936   1.872  -2.163  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -3.982   0.776  -2.615  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7