REMARK  Name = BDB011467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547  -1.405  -1.438  0.00  0.00    +0.170 C 
ATOM      2  C   LIG    1       -0.967  -1.200  -1.641  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1       -1.362  -0.815  -2.751  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.793  -1.144  -0.509  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -1.857  -2.140   0.541  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -1.278  -3.428   0.453  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -1.489  -4.383   1.468  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -2.239  -4.080   2.598  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.781  -2.813   2.727  0.00  0.00    +0.002 A 
ATOM     10  S   LIG    1       -0.194  -3.988  -0.852  0.00  0.00    -0.121 S 
ATOM     11  C   LIG    1       -2.592  -1.865   1.715  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.996  -2.639  -0.677  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.405   0.129  -0.803  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.059  -0.148  -0.869  0.00  0.00    -0.302 N 
ATOM     15  H   LIG    1        0.417   0.639  -0.832  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        3.269  -0.698  -1.086  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        2.729   1.569  -0.346  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        2.602   2.509  -1.542  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.200   1.066   1.522  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.103   1.657   0.191  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.710   1.123  -0.440  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.846  -0.122  -0.607  0.00  0.00    +0.148 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.266   1.272  -0.436  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -1.788   1.715   0.806  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -1.205   2.978   0.934  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.092   3.812  -0.175  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.562   3.385  -1.415  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.144   2.124  -1.545  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5