REMARK  Name = BDB049827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.867   0.414   0.278  0.00  0.00    -0.306 N 
ATOM      2  H   LIG    1       -0.949  -0.013   1.190  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -2.057   0.787  -0.340  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -2.090   1.672  -1.189  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.222   0.049   0.126  0.00  0.00    +0.195 A 
ATOM      6  N   LIG    1       -3.213  -1.249   0.578  0.00  0.00    -0.334 N 
ATOM      7  H   LIG    1       -2.401  -1.848   0.604  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1       -4.488  -1.602   0.938  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1       -5.258  -0.479   0.637  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -6.641  -0.532   0.889  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -7.196  -1.704   1.437  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -6.390  -2.808   1.723  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.014  -2.781   1.474  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1       -4.452   0.527   0.152  0.00  0.00    -0.223 NA
BRANCH  10  15
ATOM     15  C   LIG    1       -7.510   0.613   0.568  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1       -7.499   1.173  -0.517  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1       -8.367   1.006   1.562  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -8.210   0.738   2.523  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -8.855   1.877   1.391  0.00  0.00    +0.145 HD
ENDBRANCH  10  15
ENDBRANCH   3   5
BRANCH   1  23
ATOM     20  N   LIG    1        3.276   1.145  -0.598  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1        2.280   1.411  -1.645  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        0.930   0.741  -1.392  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        0.379   1.123  -0.014  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1        1.426   0.827   1.063  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        2.760   1.495   0.729  0.00  0.00    +0.086 C 
BRANCH  20  26
ATOM     26  C   LIG    1        3.845  -0.209  -0.668  0.00  0.00    +0.090 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.157   0.538   0.114  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        5.370  -0.205  -0.980  0.00  0.00    -0.025 C 
ATOM     29  C   LIG    1        5.656   0.452  -2.342  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        5.859  -1.665  -1.029  0.00  0.00    +0.012 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 5