REMARK  Name = BDB008977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.996  -0.821  -0.089  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.543  -0.363  -1.275  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.319  -0.773  -1.680  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -0.500  -1.625  -0.949  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1        0.002  -2.100   0.263  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.262  -1.692   0.701  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.608  -1.168   2.377  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.985  -0.552   1.386  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.265  -0.341   0.235  0.00  0.00    -0.266 N 
ATOM     10  H   LIG    1        3.610   0.289  -0.475  0.00  0.00    +0.157 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.337   0.071   1.413  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        5.855   0.473   2.646  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        7.112   1.045   2.667  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        7.868   1.230   1.564  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        7.353   0.813   0.388  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        6.104   0.230   0.258  0.00  0.00    +0.033 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1       -1.850  -2.051  -1.459  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.737  -0.877  -1.863  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.412  -0.057  -0.809  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.271  -0.397   0.648  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -4.279   0.333   1.542  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.402   1.799   1.148  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.850   1.939  -0.308  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.141   0.989  -1.235  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.275   1.263  -2.688  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -4.950   2.195  -3.112  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -3.603   0.411  -3.522  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -3.680   0.582  -4.519  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -2.835  -0.643  -3.138  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4