REMARK  Name = BDB029714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.281   2.088  -0.480  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.599   1.152  -0.108  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.369   0.815  -0.619  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -2.896   1.405  -1.293  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.751  -0.256   0.137  0.00  0.00    +0.129 C 
ATOM      6  C   LIG    1       -1.449   0.144   0.836  0.00  0.00    +0.142 C 
ATOM      7  N   LIG    1       -0.440  -0.128  -0.181  0.00  0.00    -0.307 N 
ATOM      8  C   LIG    1       -0.933  -1.047  -1.202  0.00  0.00    +0.110 C 
ATOM      9  C   LIG    1       -2.339  -1.431  -0.734  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.864  -0.563   1.132  0.00  0.00    +0.246 C 
ATOM     11  O   LIG    1       -3.838  -1.406   2.015  0.00  0.00    -0.273 OA
ATOM     12  N   LIG    1       -4.902   0.284   0.887  0.00  0.00    -0.238 N 
ATOM     13  H   LIG    1       -5.746   0.331   1.432  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        0.894   0.063  -0.016  0.00  0.00    +0.162 A 
ATOM     15  S   LIG    1        1.567   0.942   1.312  0.00  0.00    -0.052 S 
ATOM     16  C   LIG    1        3.153   0.685   0.708  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        3.069  -0.051  -0.472  0.00  0.00    +0.080 A 
ATOM     18  C   LIG    1        4.259  -0.382  -1.152  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.492   0.029  -0.636  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.552   0.762   0.545  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.386   1.103   1.237  0.00  0.00    +0.017 A 
ATOM     22  N   LIG    1        1.787  -0.390  -0.867  0.00  0.00    -0.225 NA
ENDBRANCH   7  14
TORSDOF 1