REMARK  Name = BDB046647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.102   0.449   0.273  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -1.726   1.661   0.464  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -1.263   2.534   0.665  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.082   1.491   0.356  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.243   0.134   0.096  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.544  -0.380  -0.073  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.632   0.507   0.030  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.433   1.865   0.293  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -4.147   2.388   0.463  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -2.008  -0.489   0.053  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.142  -0.244   0.418  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1        2.641   1.064   0.436  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        1.263   1.307   0.388  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        0.352   0.244   0.324  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        0.859  -1.063   0.301  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.236  -1.308   0.347  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        4.631  -0.495   0.470  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.717  -0.256  -0.704  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        5.290   0.031  -0.726  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        4.869  -0.403  -1.547  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  C   LIG    1       -4.797  -1.812  -0.354  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -5.934  -2.247  -0.494  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -3.712  -2.634  -0.453  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -2.768  -2.271  -0.344  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.854  -3.613  -0.651  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 4