REMARK  Name = BDB023385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.716   1.143  -1.283  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.948   1.404  -1.895  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.454   0.483  -0.082  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        2.323   0.090   0.682  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.038   0.290   0.135  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.854   0.721  -0.808  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.101   0.418  -0.354  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -2.043  -0.228   0.878  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.255  -0.617   1.506  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.445  -0.306   0.789  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -4.487   0.356  -0.453  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1       -3.273   0.721  -1.041  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -0.650  -0.290   1.182  0.00  0.00    +0.065 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.801   0.628  -1.145  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -6.151   2.032  -1.584  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.883   1.409  -0.435  0.00  0.00    +0.009 C 
ENDBRANCH  11  14
BRANCH   9  17
ATOM     17  N   LIG    1       -3.403  -1.294   2.740  0.00  0.00    -0.335 N 
ATOM     18  C   LIG    1       -4.034  -0.457   3.767  0.00  0.00    +0.129 C 
ATOM     19  C   LIG    1       -2.286  -2.097   3.224  0.00  0.00    +0.129 C 
ENDBRANCH   9  17
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1        3.216   1.611  -1.802  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1        2.999   2.151  -3.131  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        3.802   2.430  -0.767  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1        5.172  -0.296  -1.250  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        4.063   0.068  -2.013  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1        3.573  -0.802  -3.003  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        4.188  -2.034  -3.222  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.300  -2.395  -2.467  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.796  -1.527  -1.492  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1        5.702   0.566  -0.334  0.00  0.00    -0.490 OA
BRANCH  29  31
ATOM     30  C   LIG    1        5.814   1.151   1.979  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1        5.782   0.007   0.982  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7