REMARK  Name = BDB032858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.080  -0.643   1.069  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        0.027  -0.237   0.290  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        1.319  -0.286   0.837  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        1.522  -0.624   2.174  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        0.427  -0.963   2.961  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.861  -0.982   2.410  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.575  -1.016   1.061  0.00  0.00    +0.217 C 
ATOM      8  N   LIG    1       -2.361  -0.726   0.464  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -2.364  -0.630  -0.552  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.778  -1.166   2.260  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.688  -1.112   0.028  0.00  0.00    +0.096 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.134  -1.536  -0.396  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.040  -1.442   0.655  0.00  0.00    +0.006 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  C   LIG    1       -0.184   0.201  -1.111  0.00  0.00    +0.255 C 
ATOM     15  N   LIG    1        0.310   1.389  -1.593  0.00  0.00    -0.260 N 
ATOM     16  H   LIG    1        0.192   1.540  -2.585  0.00  0.00    +0.157 HD
ATOM     17  O   LIG    1       -0.848  -0.518  -1.862  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        0.641   2.477  -0.837  0.00  0.00    +0.167 A 
ATOM     19  S   LIG    1        1.104   3.847  -1.747  0.00  0.00    -0.028 S 
ATOM     20  C   LIG    1        1.318   4.697  -0.289  0.00  0.00    +0.185 A 
ATOM     21  C   LIG    1        1.019   3.902   0.791  0.00  0.00    +0.153 A 
ATOM     22  N   LIG    1        0.623   2.615   0.464  0.00  0.00    -0.231 NA
BRANCH  20  23
ATOM     23  N   LIG    1        1.753   6.056  -0.264  0.00  0.00    +0.065 N 
ATOM     24  O   LIG    1        1.879   6.571   0.855  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        1.975   6.618  -1.343  0.00  0.00    -0.126 OA
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   2  14
BRANCH   3  26
ATOM     26  O   LIG    1        2.447   0.045   0.078  0.00  0.00    -0.425 OA
BRANCH  26  27
ATOM     27  C   LIG    1        2.988  -1.049  -0.592  0.00  0.00    +0.312 C 
ATOM     28  O   LIG    1        2.559  -2.193  -0.573  0.00  0.00    -0.250 OA
BRANCH  27  29
ATOM     29  C   LIG    1        4.184  -0.571  -1.387  0.00  0.00    +0.121 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.052  -1.714  -1.910  0.00  0.00    +0.008 C 
ATOM     31  C   LIG    1        5.848  -2.397  -0.806  0.00  0.00    +0.004 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 10