REMARK  Name = BDB024584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.231  -1.471   0.597  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.545  -0.348   0.100  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.293   0.890  -0.233  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.173   0.693  -1.481  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.420   2.129  -0.485  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.255   2.168   0.477  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.445   0.925   0.251  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.033   0.949   0.255  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.193   2.021   0.421  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.032   1.542   0.359  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -1.015   0.176   0.134  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.307  -0.222   0.076  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.939  -1.454  -0.110  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.340  -1.471  -0.104  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.106  -0.311   0.078  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.729  -2.534   0.947  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.195  -0.675  -0.010  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.293  -1.327  -1.400  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -3.564  -2.167  -1.533  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1       -3.641  -3.205  -0.402  0.00  0.00    -0.004 C 
ATOM     21  C   LIG    1       -2.736  -4.457  -0.566  0.00  0.00    +0.089 C 
ATOM     22  N   LIG    1       -3.868  -5.165  -1.196  0.00  0.00    -0.315 NA
ATOM     23  H   LIG    1       -3.862  -5.110  -2.215  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -4.807  -4.216  -0.566  0.00  0.00    +0.089 C 
ATOM     25  C   LIG    1       -3.601  -2.534   0.974  0.00  0.00    +0.011 C 
ATOM     26  C   LIG    1       -2.324  -1.707   1.122  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.319  -2.350   1.234  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.577  -1.251   0.705  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.278   2.357   0.499  0.00  0.00    +0.097 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.976   3.801   0.888  0.00  0.00    +0.151 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.177   4.616   0.905  0.00  0.00    -0.271 N 
ATOM     32  N   LIG    1       -4.186   4.310   1.745  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1       -5.100   5.252   1.498  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1       -4.686   6.150   0.498  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1       -3.436   5.710   0.131  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 5