REMARK  Name = BDB024757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.352  -0.714  -1.774  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.560  -0.664  -0.613  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.203  -0.656   0.724  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.834  -2.022   1.049  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.270  -0.295   1.892  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.307   0.798   1.490  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -1.498   0.282   0.337  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.114   0.532   0.229  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.712   1.217   1.085  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        1.917   1.182   0.549  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        1.890   0.492  -0.646  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1        0.598   0.065  -0.867  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.007  -0.661  -1.895  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.384  -0.895  -1.784  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -2.142  -0.433  -0.698  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -3.947  -0.670  -2.931  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -6.541  -0.799  -2.636  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -5.689  -0.774  -1.490  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        3.009   0.268  -1.542  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.379   1.519  -2.305  0.00  0.00    +0.230 C 
ATOM     21  O   LIG    1        4.469   2.072  -2.194  0.00  0.00    -0.274 OA
ATOM     22  N   LIG    1        2.442   2.001  -3.177  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1        2.656   2.890  -3.614  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        1.459   1.778  -3.069  0.00  0.00    +0.145 HD
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  25
ATOM     25  C   LIG    1        3.135   1.825   1.146  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.150   0.841   1.683  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1        3.785  -0.114   2.644  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.727  -1.014   3.143  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.045  -0.966   2.692  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.423  -0.016   1.746  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.482   0.887   1.246  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5