REMARK  Name = BDB046012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.410  -0.615  -2.190  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.288  -0.011  -1.634  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.159  -0.539  -0.841  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.306   0.517  -0.569  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.785   1.771  -1.104  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.017  -1.695  -0.488  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.048   1.367  -1.788  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.914   2.184  -2.497  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -5.042   1.602  -3.065  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.284   0.226  -2.915  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.076   0.444   0.220  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.951  -0.509  -0.390  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        2.263  -0.477   0.405  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.086  -0.185   1.843  0.00  0.00    -0.297 NA
ATOM     15  C   LIG    1        0.800  -0.696   2.328  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.350   0.089   1.690  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.198  -0.734   2.638  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.478  -0.019   2.356  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        4.545   1.354   2.343  0.00  0.00    -0.363 N 
ATOM     20  H   LIG    1        3.747   1.961   2.481  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1        5.826   1.753   2.071  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        6.596   0.623   1.912  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        5.748  -0.496   2.091  0.00  0.00    +0.024 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  27
ATOM     24  N   LIG    1       -4.135  -2.904  -1.298  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.265  -2.667  -0.822  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -4.383  -3.882  -1.337  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.804  -2.051  -2.117  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -5.744  -2.476  -2.783  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 4