REMARK  Name = BDB024863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.195  -1.500   2.230  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.617  -0.554   1.362  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.592   0.265   0.616  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.293  -0.571  -0.469  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.990   1.541   0.033  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.790   1.204  -0.825  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.798   0.421  -0.014  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.421   0.513  -0.321  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.193   1.207  -1.333  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.490   1.013  -1.187  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -1.730   0.163  -0.129  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1       -0.520  -0.146   0.456  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -0.160  -0.902   1.569  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.210  -1.004   1.854  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.209  -0.405   1.065  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.371  -1.453   2.587  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        3.994  -3.519   3.413  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        3.378  -2.530   2.586  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -3.016  -0.356   0.292  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.511  -1.444  -0.636  0.00  0.00    +0.233 C 
ATOM     21  N   LIG    1       -2.715  -2.568  -0.712  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -1.838  -2.578  -0.199  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -4.569  -1.341  -1.254  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.082  -3.722  -1.567  0.00  0.00    +0.124 C 
ATOM     25  C   LIG    1       -4.204  -4.610  -1.008  0.00  0.00    +0.184 C 
ATOM     26  O   LIG    1       -3.255  -5.639  -0.628  0.00  0.00    -0.376 OA
ATOM     27  C   LIG    1       -2.211  -4.972  -1.378  0.00  0.00    +0.184 C 
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -2.532   1.627  -2.070  0.00  0.00    +0.096 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.332   2.767  -1.426  0.00  0.00    +0.132 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.516   3.766  -0.738  0.00  0.00    -0.315 N 
ATOM     31  C   LIG    1       -2.345   3.652   0.645  0.00  0.00    +0.251 A 
ATOM     32  O   LIG    1       -2.879   2.795   1.348  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1       -1.453   4.661   1.278  0.00  0.00    +0.070 A 
ATOM     34  C   LIG    1       -0.854   5.595   0.529  0.00  0.00    +0.007 A 
ATOM     35  C   LIG    1       -1.059   5.633  -0.895  0.00  0.00    +0.018 A 
ATOM     36  C   LIG    1       -1.863   4.736  -1.480  0.00  0.00    +0.089 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 7