REMARK  Name = BDB032899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.509  -1.348  -0.972  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.767  -1.025  -0.463  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -1.310  -1.872   0.514  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.632  -3.020   0.939  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.606  -3.346   0.393  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.176  -2.517  -0.570  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.386   0.016  -1.907  0.00  0.00    -0.261 N 
ATOM      8  H   LIG    1        2.715   0.528  -2.714  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        1.117  -0.493  -2.017  0.00  0.00    +0.251 C 
ATOM     10  O   LIG    1        0.452  -0.244  -3.026  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.917   0.757   0.693  0.00  0.00    +0.166 A 
ATOM     12  S   LIG    1        4.604   0.954  -0.971  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        3.121   0.131  -0.762  0.00  0.00    +0.167 A 
ATOM     14  N   LIG    1        2.842  -0.277   0.449  0.00  0.00    -0.231 NA
ATOM     15  C   LIG    1        3.877   0.084   1.294  0.00  0.00    +0.152 A 
BRANCH  11  17
ATOM     16  O   LIG    1        6.957   1.790   0.737  0.00  0.00    -0.143 OA
ATOM     17  N   LIG    1        6.105   1.218   1.426  0.00  0.00    -0.022 NA
ENDBRANCH  11  17
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1       -1.440   0.137  -0.900  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -1.234   0.363  -1.875  0.00  0.00    +0.152 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.418   0.947  -0.305  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1       -3.329   1.629  -1.125  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.340   2.422  -0.577  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.458   2.544   0.804  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.564   1.874   1.635  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.555   1.080   1.082  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5