REMARK  Name = BDB047084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.531  -1.703   2.245  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1        1.623  -1.475   1.239  0.00  0.00    +0.155 A 
ATOM      3  N   LIG    1        0.389  -1.626   1.812  0.00  0.00    -0.264 N 
ATOM      4  N   LIG    1        0.446  -1.976   3.115  0.00  0.00    -0.176 NA
ATOM      5  C   LIG    1        1.757  -2.027   3.371  0.00  0.00    +0.180 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -0.911  -1.455   1.173  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -1.093  -0.034   0.614  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -2.425   0.231   0.033  0.00  0.00    -0.296 NA
ATOM      9  C   LIG    1       -3.115  -0.987  -0.427  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1       -2.142  -2.026  -0.981  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1       -1.170  -2.518   0.093  0.00  0.00    +0.029 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -3.266   1.018   0.953  0.00  0.00    +0.119 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.546   1.524   0.322  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -5.795   1.164   0.850  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -6.972   1.642   0.271  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.914   2.484  -0.838  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.680   2.851  -1.370  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.502   2.375  -0.793  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  19
ATOM     19  O   LIG    1        3.879  -1.700   2.186  0.00  0.00    -0.420 OA
BRANCH  19  27
ATOM     20  C   LIG    1        6.458  -0.845  -0.018  0.00  0.00    +0.226 A 
ATOM     21  C   LIG    1        6.055   0.340  -0.615  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        4.811   0.795  -0.189  0.00  0.00    +0.099 A 
ATOM     23  C   LIG    1        4.385   1.982  -0.766  0.00  0.00    +0.139 A 
ATOM     24  N   LIG    1        5.068   2.711  -1.691  0.00  0.00    -0.261 NA
ATOM     25  C   LIG    1        6.267   2.230  -2.071  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        4.069   0.133   0.717  0.00  0.00    -0.193 NA
ATOM     27  C   LIG    1        4.574  -1.016   1.203  0.00  0.00    +0.327 A 
ATOM     28  C   LIG    1        6.802   1.060  -1.569  0.00  0.00    +0.035 A 
ATOM     29  N   LIG    1        5.765  -1.541   0.886  0.00  0.00    -0.159 NA
BRANCH  20  30
ATOM     30  O   LIG    1        7.655  -1.414  -0.327  0.00  0.00    -0.492 OA
ATOM     31  H   LIG    1        7.636  -2.200   0.249  0.00  0.00    +0.294 HD
ENDBRANCH  20  30
ENDBRANCH  19  27
ENDBRANCH   1  19
TORSDOF 6