REMARK  Name = BDB004793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.778  -0.145  -0.411  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.881  -1.028  -0.357  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.980  -0.629   0.430  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.082  -1.507   0.511  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        4.095  -2.734  -0.181  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.019  -3.110  -0.967  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.963   0.560   1.071  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.884   1.335   0.920  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.923  -2.263  -1.056  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.800   1.042   0.207  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.309  -1.214   1.318  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.263  -1.984   1.340  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.351  -0.061   2.043  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.585   0.605   2.006  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.186   0.159   2.567  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.345  -0.503  -1.174  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.629  -1.438  -0.890  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.552   0.347  -1.260  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.438   0.125  -0.038  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -3.435  -0.867  -0.082  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.251  -1.117   1.023  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.080  -0.385   2.195  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.093   0.595   2.261  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.278   0.846   1.154  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.262   1.804  -1.679  0.00  0.00    +0.042 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.356   2.427  -2.555  0.00  0.00    +0.080 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.659   2.486  -1.909  0.00  0.00    -0.330 NA
ATOM     28  H   LIG    1       -3.582   2.942  -1.000  0.00  0.00    +0.118 HD
ATOM     29  H   LIG    1       -4.295   3.055  -2.465  0.00  0.00    +0.118 HD
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7