REMARK  Name = BDB036274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.306  -1.041  -0.015  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.875   0.317  -0.038  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.547   0.547  -0.344  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.349   1.906  -0.290  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1        1.574   2.443   0.038  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -0.368  -0.487  -0.627  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.038  -1.726  -0.590  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.513   1.450   0.192  0.00  0.00    -0.224 NA
ATOM      9  C   LIG    1        1.363  -1.968  -0.294  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.859  -3.261  -0.008  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.652  -2.450   0.276  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.632  -1.618   1.320  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.412  -1.036   1.267  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.078  -0.097   2.315  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.637  -1.499   0.225  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.434  -2.421  -0.431  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.909   3.855   0.229  0.00  0.00    +0.224 A 
ATOM     18  N   LIG    1        1.052   4.878   0.070  0.00  0.00    -0.131 NA
ATOM     19  N   LIG    1        1.869   5.901   0.369  0.00  0.00    -0.176 N 
ATOM     20  H   LIG    1        1.558   6.868   0.350  0.00  0.00    +0.214 HD
ATOM     21  N   LIG    1        3.124   5.577   0.700  0.00  0.00    -0.048 NA
ATOM     22  N   LIG    1        3.163   4.253   0.612  0.00  0.00    -0.106 NA
ENDBRANCH   5  17
BRANCH   6  23
ATOM     23  N   LIG    1       -1.672  -0.153  -0.928  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -1.837   0.781  -1.285  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.591  -1.138  -1.471  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.985  -0.581  -1.453  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.698  -0.402  -0.270  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.289  -0.640   1.136  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -5.654  -0.513   1.813  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.529   0.270   0.968  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -5.975   0.143  -0.278  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -6.601   0.535  -1.444  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -5.910   0.358  -2.643  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -4.621  -0.192  -2.638  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -3.982  -0.329  -3.809  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5