REMARK  Name = BDB024604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.454  -1.149   0.906  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.642  -0.398   0.044  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.343   0.573  -0.810  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.669  -0.025  -2.182  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.573   1.887  -0.886  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.184   1.668  -1.446  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.499   0.483  -0.824  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.100   0.336  -0.978  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.220   1.161  -1.620  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.978   0.613  -1.507  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.905  -0.563  -0.779  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.437  -0.762  -0.462  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.119  -1.784   0.199  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.506  -1.642   0.346  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.214  -0.523  -0.121  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.679  -1.194   0.811  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.921  -1.520  -0.385  0.00  0.00    +0.094 C 
ATOM     18  C   LIG    1       -2.205  -1.593   1.129  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -3.586  -2.266   1.267  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -4.421  -1.277   2.075  0.00  0.00    +0.084 C 
ATOM     21  N   LIG    1       -3.416  -0.528   2.824  0.00  0.00    -0.315 NA
ATOM     22  H   LIG    1       -3.805   0.348   3.171  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -4.090  -2.503  -0.154  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -2.357  -0.259   1.851  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1       -3.323  -1.490  -0.999  0.00  0.00    +0.026 C 
ENDBRANCH  11  17
BRANCH   1  27
ATOM     26  C   LIG    1        5.619  -2.473   2.839  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        4.785  -1.767   1.920  0.00  0.00    -0.453 OA
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  C   LIG    1       -2.187   1.247  -2.133  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.983   2.150  -1.213  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -4.386   2.155  -1.271  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.132   2.997  -0.444  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.486   3.861   0.438  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.095   3.892   0.484  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.348   3.050  -0.342  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 4