REMARK  Name = BDB050997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.761  -1.672  -0.903  0.00  0.00    -0.216 N 
ATOM      2  C   LIG    1        1.477  -2.451  -0.039  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        1.039  -3.370   0.639  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1        2.925  -1.966  -0.037  0.00  0.00    +0.165 C 
ATOM      5  N   LIG    1        2.847  -0.942  -1.056  0.00  0.00    -0.287 N 
ATOM      6  H   LIG    1        3.595  -0.302  -1.294  0.00  0.00    +0.151 HD
ATOM      7  C   LIG    1        1.557  -0.732  -1.479  0.00  0.00    +0.310 C 
ATOM      8  O   LIG    1        1.214   0.157  -2.241  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -0.676  -1.697  -1.038  0.00  0.00    +0.213 C 
BRANCH   9  11
ATOM     10  N   LIG    1       -2.659  -0.459  -0.130  0.00  0.00    -0.293 N 
ATOM     11  C   LIG    1       -1.296  -0.735  -0.010  0.00  0.00    +0.234 C 
ATOM     12  O   LIG    1       -0.602  -0.255   0.891  0.00  0.00    -0.274 OA
BRANCH  10  14
ATOM     13  C   LIG    1       -2.712   1.859   0.849  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -3.320   0.455   0.821  0.00  0.00    +0.076 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.365  -0.161   2.199  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -4.339  -1.268   2.521  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -4.535   0.098   3.117  0.00  0.00    +0.005 C 
ENDBRANCH  14  15
ENDBRANCH  10  14
BRANCH  10  18
ATOM     18  C   LIG    1       -3.515  -1.035  -1.171  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.914  -0.045  -2.242  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -5.249   0.010  -2.675  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -5.636   0.896  -3.682  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.694   1.733  -4.275  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.364   1.682  -3.864  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.975   0.796  -2.857  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  10  18
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   4  25
ATOM     25  C   LIG    1        3.289  -1.431   1.347  0.00  0.00    +0.069 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.689  -0.901   1.404  0.00  0.00    -0.020 A 
ATOM     27  C   LIG    1        5.103   0.450   1.169  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.491   0.492   1.307  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        7.235   1.665   1.133  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1        6.537   2.832   0.806  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.152   2.824   0.664  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1        6.904  -0.779   1.631  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1        7.865  -1.041   1.801  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1        4.424   1.643   0.843  0.00  0.00    +0.010 A 
ATOM     35  C   LIG    1        5.830  -1.626   1.688  0.00  0.00    +0.087 A 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8