REMARK  Name = BDB024735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.996  -1.297   2.179  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.866  -0.520   2.510  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.160   0.640   3.372  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.883   1.742   2.583  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        2.930   1.184   4.096  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.844   1.520   3.095  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.540   0.319   2.242  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.251   0.180   1.667  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.825   1.033   1.742  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.792   0.474   1.036  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -1.374  -0.735   0.516  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -0.073  -0.945   0.926  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.831  -1.986   0.734  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.114  -1.829   1.286  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.519  -0.681   1.991  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.071  -1.206   2.776  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        6.007  -2.869   0.751  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.845  -2.115   1.101  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.151  -1.655  -0.299  0.00  0.00    +0.125 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.294  -1.230  -1.764  0.00  0.00    +0.044 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.981  -1.104  -2.540  0.00  0.00    +0.167 C 
BRANCH  21  22
ATOM     22  S   LIG    1       -0.367  -2.664  -3.165  0.00  0.00    -0.034 S 
ATOM     23  O   LIG    1       -0.632  -3.699  -2.183  0.00  0.00    -0.175 OA
ATOM     24  O   LIG    1        0.977  -2.449  -3.670  0.00  0.00    -0.175 OA
ATOM     25  C   LIG    1       -1.403  -2.986  -4.574  0.00  0.00    +0.194 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  26
ATOM     26  C   LIG    1       -3.151   1.074   0.851  0.00  0.00    +0.096 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.079   2.494   0.273  0.00  0.00    +0.132 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.829   2.628  -0.985  0.00  0.00    -0.315 N 
ATOM     29  C   LIG    1       -3.147   2.458  -2.192  0.00  0.00    +0.251 A 
ATOM     30  O   LIG    1       -1.961   2.156  -2.301  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -3.953   2.629  -3.427  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1       -5.267   2.869  -3.346  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -5.912   2.986  -2.063  0.00  0.00    +0.018 A 
ATOM     34  C   LIG    1       -5.194   2.880  -0.941  0.00  0.00    +0.089 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  10  26
TORSDOF 8